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

C17H21N5O2S — CID 58557247

IUPACN-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H]1CC[C@H](c2ncc3cnc4[nH]ccc4n23)C1)C1CC1
InChIInChI=1S/C17H21N5O2S/c23-25(24,14-3-4-14)21-8-11-1-2-12(7-11)17-20-10-13-9-19-16-15(22(13)17)5-6-18-16/h5-6,9-12,14,18,21H,1-4,7-8H2/t11-,12-/m0/s1
InChIKeyGKQBNZBCBABCKO-RYUDHWBXSA-N
MW359.46 g/mol
LogP2.18
Rot. Bonds5

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

N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide (PubChem CID 58557247) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide
PubChem CID58557247
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H]1CC[C@H](c2ncc3cnc4[nH]ccc4n23)C1)C1CC1
InChIInChI=1S/C17H21N5O2S/c23-25(24,14-3-4-14)21-8-11-1-2-12(7-11)17-20-10-13-9-19-16-15(22(13)17)5-6-18-16/h5-6,9-12,14,18,21H,1-4,7-8H2/t11-,12-/m0/s1
InChIKeyGKQBNZBCBABCKO-RYUDHWBXSA-N
XLogP2.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide (CID 58557247) is N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@H]1CC[C@H](c2ncc3cnc4[nH]ccc4n23)C1)C1CC1.
What is the InChIKey of N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide?
The InChIKey is GKQBNZBCBABCKO-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-25(24,14-3-4-14)21-8-11-1-2-12(7-11)17-20-10-13-9-19-16-15(22(13)17)5-6-18-16/h5-6,9-12,14,18,21H,1-4,7-8H2/t11-,12-/m0/s1.
What are the key properties of N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide?
N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3S)-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 58557247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).