N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide

C20H25N5O2S — CID 58557791

IUPACN-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1n1c(C2CC2)nc2cnc3[nH]ccc3c21
InChIInChI=1S/C20H25N5O2S/c1-11-8-13(24-28(26,27)14-4-5-14)9-17(11)25-18-15-6-7-21-19(15)22-10-16(18)23-20(25)12-2-3-12/h6-7,10-14,17,24H,2-5,8-9H2,1H3,(H,21,22)/t11-,13+,17+/m1/s1
InChIKeyKJKZPGUZAZJSNV-ZUCKAHLUSA-N
MW399.52 g/mol
LogP3.21
Rot. Bonds5

About N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide

N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide (PubChem CID 58557791) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide
PubChem CID58557791
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1n1c(C2CC2)nc2cnc3[nH]ccc3c21
InChIInChI=1S/C20H25N5O2S/c1-11-8-13(24-28(26,27)14-4-5-14)9-17(11)25-18-15-6-7-21-19(15)22-10-16(18)23-20(25)12-2-3-12/h6-7,10-14,17,24H,2-5,8-9H2,1H3,(H,21,22)/t11-,13+,17+/m1/s1
InChIKeyKJKZPGUZAZJSNV-ZUCKAHLUSA-N
XLogP3.21
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,3S,4R)-3-[4-cyclopropyl-10-(4-methylphenyl)sulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]-4-methylcyclopentyl]cyclopropanesulfonamide
CID 67999149
cyclopropanesulfonic acid;(1S,3R,4S)-3-methyl-4-[4-(trifluoromethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclopentan-1-amine
CID 162621941
2-[4-[4-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile
CID 146212959
3-[(1S,2R,4S)-4-(cyclopropylsulfonylmethyl)-2-ethylcyclopentyl]-4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 157188650
2-[4-[4-(1-methylsulfonylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile;molecular hydrogen
CID 142379859
4-methyl-3-(oxan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395290
N-[[3-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide
CID 71461373
3-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395338
4-[4-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]-N-methylcyclohexan-1-amine
CID 67343208
[(1S,3S)-3-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentyl]carbamic acid
CID 140566227
[4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]carbamic acid
CID 123475758
2-[3-(1-cyclopropylsulfonylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]acetamide
CID 58395541

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide (CID 58557791) is N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide is C[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1n1c(C2CC2)nc2cnc3[nH]ccc3c21.
What is the InChIKey of N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide?
The InChIKey is KJKZPGUZAZJSNV-ZUCKAHLUSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-11-8-13(24-28(26,27)14-4-5-14)9-17(11)25-18-15-6-7-21-19(15)22-10-16(18)23-20(25)12-2-3-12/h6-7,10-14,17,24H,2-5,8-9H2,1H3,(H,21,22)/t11-,13+,17+/m1/s1.
What are the key properties of N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide?
N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4R)-3-(4-cyclopropyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylcyclopentyl]cyclopropanesulfonamide is sourced from PubChem (CID 58557791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).