N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide

C23H35N5O3S2 — CID 137466152

IUPACN-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
SMILESCC1CC(NS(=O)(=O)C2CC2)CC1c1cnc2cnc3c(ccn3COCCS(C)(C)C)n12
InChIInChI=1S/C23H35N5O3S2/c1-16-11-17(26-33(29,30)18-5-6-18)12-19(16)21-13-24-22-14-25-23-20(28(21)22)7-8-27(23)15-31-9-10-32(2,3)4/h7-8,13-14,16-19,26H,5-6,9-12,15H2,1-4H3
InChIKeyPRNSXNAMSXRGEW-UHFFFAOYSA-N
MW493.70 g/mol
LogP3.32
Rot. Bonds9

About N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide

N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide (PubChem CID 137466152) has the molecular formula C23H35N5O3S2 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
PubChem CID137466152
Molecular FormulaC23H35N5O3S2
Molecular Weight493.70 g/mol
Exact Mass493.22
IUPAC NameN-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
SMILESCC1CC(NS(=O)(=O)C2CC2)CC1c1cnc2cnc3c(ccn3COCCS(C)(C)C)n12
InChIInChI=1S/C23H35N5O3S2/c1-16-11-17(26-33(29,30)18-5-6-18)12-19(16)21-13-24-22-14-25-23-20(28(21)22)7-8-27(23)15-31-9-10-32(2,3)4/h7-8,13-14,16-19,26H,5-6,9-12,15H2,1-4H3
InChIKeyPRNSXNAMSXRGEW-UHFFFAOYSA-N
XLogP3.32
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide (CID 137466152) is N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide is CC1CC(NS(=O)(=O)C2CC2)CC1c1cnc2cnc3c(ccn3COCCS(C)(C)C)n12.
What is the InChIKey of N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
The InChIKey is PRNSXNAMSXRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3S2/c1-16-11-17(26-33(29,30)18-5-6-18)12-19(16)21-13-24-22-14-25-23-20(28(21)22)7-8-27(23)15-31-9-10-32(2,3)4/h7-8,13-14,16-19,26H,5-6,9-12,15H2,1-4H3.
What are the key properties of N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide?
N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide has a molecular weight of 493.70 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide is sourced from PubChem (CID 137466152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).