1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide

C17H22N6O2S — CID 160949875

About 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide

1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide (PubChem CID 160949875) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide
• PubChem CID: 160949875
• Molecular Formula: C17H22N6O2S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.15
• IUPAC Name: 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide
• SMILES: CC1(C)C[C@H](C2(S(N)(=O)=O)CC2)C[C@H]1c1nnc2cnc3[nH]ccc3n12
• InChI: InChI=1S/C17H22N6O2S/c1-16(2)8-10(17(4-5-17)26(18,24)25)7-11(16)15-22-21-13-9-20-14-12(23(13)15)3-6-19-14/h3,6,9-11,19H,4-5,7-8H2,1-2H3,(H2,18,24,25)/t10-,11+/m1/s1
• InChIKey: SVPOEYTUSOZZRA-MNOVXSKESA-N
• XLogP: 1.95
• TPSA: 119.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?

The IUPAC name of 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide (CID 160949875) is 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[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-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?

The canonical SMILES for 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide is CC1(C)C[C@H](C2(S(N)(=O)=O)CC2)C[C@H]1c1nnc2cnc3[nH]ccc3n12.

What is the InChIKey of 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?

The InChIKey is SVPOEYTUSOZZRA-MNOVXSKESA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-16(2)8-10(17(4-5-17)26(18,24)25)7-11(16)15-22-21-13-9-20-14-12(23(13)15)3-6-19-14/h3,6,9-11,19H,4-5,7-8H2,1-2H3,(H2,18,24,25)/t10-,11+/m1/s1.

What are the key properties of 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide?

1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,4R)-3,3-dimethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 160949875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).