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

C19H29N3O3S — CID 3233947

IUPAC9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-6-9-19(15-21)10-13-22(14-11-19)26(24,25)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyRBEZGNBVGQIMRW-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.67
Rot. Bonds3

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

9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 3233947) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID3233947
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-6-9-19(15-21)10-13-22(14-11-19)26(24,25)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyRBEZGNBVGQIMRW-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

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide (CID 3233947) is 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide is CC(C)NC(=O)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is RBEZGNBVGQIMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16(2)20-18(23)21-12-6-9-19(15-21)10-13-22(14-11-19)26(24,25)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,20,23).
What are the key properties of 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide?
9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-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 9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 3233947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).