2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide

C15H23N3O3S2 — CID 56713318

IUPAC2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C(=O)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C15H23N3O3S2/c16-23(20,21)12-2-11-22-13(12)14(19)18-9-1-3-15(6-10-18)4-7-17-8-5-15/h2,11,17H,1,3-10H2,(H2,16,20,21)
InChIKeyIYOMNDFYUWYVQN-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.39
Rot. Bonds2

About 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide

2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide (PubChem CID 56713318) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide
PubChem CID56713318
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C(=O)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C15H23N3O3S2/c16-23(20,21)12-2-11-22-13(12)14(19)18-9-1-3-15(6-10-18)4-7-17-8-5-15/h2,11,17H,1,3-10H2,(H2,16,20,21)
InChIKeyIYOMNDFYUWYVQN-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide 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 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide (CID 56713318) is 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide is NS(=O)(=O)c1ccsc1C(=O)N1CCCC2(CCNCC2)CC1.
What is the InChIKey of 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide?
The InChIKey is IYOMNDFYUWYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c16-23(20,21)12-2-11-22-13(12)14(19)18-9-1-3-15(6-10-18)4-7-17-8-5-15/h2,11,17H,1,3-10H2,(H2,16,20,21).
What are the key properties of 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide?
2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)thiophene-3-sulfonamide is sourced from PubChem (CID 56713318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).