1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide

C18H23N5O2S — CID 58557668

IUPAC1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)C2(C)CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C18H23N5O2S/c1-11-7-12(22-26(24,25)18(2)4-5-18)8-14(11)17-21-10-13-9-20-16-15(23(13)17)3-6-19-16/h3,6,9-12,14,19,22H,4-5,7-8H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyAWZMFJQOSAZCAQ-DYEKYZERSA-N
MW373.48 g/mol
LogP2.56
Rot. Bonds4

About 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide

1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide (PubChem CID 58557668) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide
PubChem CID58557668
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)C2(C)CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C18H23N5O2S/c1-11-7-12(22-26(24,25)18(2)4-5-18)8-14(11)17-21-10-13-9-20-16-15(23(13)17)3-6-19-16/h3,6,9-12,14,19,22H,4-5,7-8H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyAWZMFJQOSAZCAQ-DYEKYZERSA-N
XLogP2.56
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide (CID 58557668) is 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide is C[C@@H]1C[C@H](NS(=O)(=O)C2(C)CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12.
What is the InChIKey of 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?
The InChIKey is AWZMFJQOSAZCAQ-DYEKYZERSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11-7-12(22-26(24,25)18(2)4-5-18)8-14(11)17-21-10-13-9-20-16-15(23(13)17)3-6-19-16/h3,6,9-12,14,19,22H,4-5,7-8H2,1-2H3/t11-,12+,14+/m1/s1.
What are the key properties of 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?
1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 58557668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).