3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide

C19H29N3O3S — CID 3233292

IUPAC3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-8-19(9-13-21)10-14-22(15-11-19)26(24,25)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,20,23)
InChIKeyPZOQPTKBEGRLAR-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.67
Rot. Bonds3

About 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide

3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 3233292) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID3233292
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-8-19(9-13-21)10-14-22(15-11-19)26(24,25)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,20,23)
InChIKeyPZOQPTKBEGRLAR-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 3233947
CID 3233947
CID 76325616
CID 76325616
CID 2929432
CID 2929432
CID 3233877
CID 3233877
CID 657951
CID 657951
CID 6465555
CID 6465555
CID 18574617
CID 18574617
CID 3233400
CID 3233400
CID 17509964
CID 17509964
CID 18574543
CID 18574543
CID 42952678
CID 42952678
CID 46381900
CID 46381900

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide (CID 3233292) is 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide is CC(C)NC(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is PZOQPTKBEGRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-8-19(9-13-21)10-14-22(15-11-19)26(24,25)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,20,23).
What are the key properties of 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 3233292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).