(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C20H28N2O3S — CID 95105804

IUPAC(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H28N2O3S/c23-19(21-13-16-7-3-1-4-8-16)18-14-22(26(24,25)17-9-10-17)15-20(18)11-5-2-6-12-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,23)/t18-/m1/s1
InChIKeyOBSUJSOYFUIEKQ-GOSISDBHSA-N
MW376.52 g/mol
LogP2.68
Rot. Bonds5

About (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95105804) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95105804
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H28N2O3S/c23-19(21-13-16-7-3-1-4-8-16)18-14-22(26(24,25)17-9-10-17)15-20(18)11-5-2-6-12-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,23)/t18-/m1/s1
InChIKeyOBSUJSOYFUIEKQ-GOSISDBHSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 53183442
(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 129369274
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837112
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
CID 155880452
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide
CID 86771564

Frequently Asked Questions

What is the IUPAC name of (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 95105804) is (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2.
What is the InChIKey of (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is OBSUJSOYFUIEKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-19(21-13-16-7-3-1-4-8-16)18-14-22(26(24,25)17-9-10-17)15-20(18)11-5-2-6-12-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95105804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).