(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

C20H27FN2O3S — CID 129369274

IUPAC(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H27FN2O3S/c21-16-6-4-5-15(11-16)12-22-19(24)18-13-23(27(25,26)17-7-8-17)14-20(18)9-2-1-3-10-20/h4-6,11,17-18H,1-3,7-10,12-14H2,(H,22,24)/t18-/m0/s1
InChIKeyOVRZVQCRCNDGKN-SFHVURJKSA-N
MW394.51 g/mol
LogP2.82
Rot. Bonds5

About (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 129369274) has the molecular formula C20H27FN2O3S and a molecular weight of 394.51 g/mol. Its IUPAC name is (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID129369274
Molecular FormulaC20H27FN2O3S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2
InChIInChI=1S/C20H27FN2O3S/c21-16-6-4-5-15(11-16)12-22-19(24)18-13-23(27(25,26)17-7-8-17)14-20(18)9-2-1-3-10-20/h4-6,11,17-18H,1-3,7-10,12-14H2,(H,22,24)/t18-/m0/s1
InChIKeyOVRZVQCRCNDGKN-SFHVURJKSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.82
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
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 71837117
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
CID 155880452
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (CID 129369274) is (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2.
What is the InChIKey of (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is OVRZVQCRCNDGKN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27FN2O3S/c21-16-6-4-5-15(11-16)12-22-19(24)18-13-23(27(25,26)17-7-8-17)14-20(18)9-2-1-3-10-20/h4-6,11,17-18H,1-3,7-10,12-14H2,(H,22,24)/t18-/m0/s1.
What are the key properties of (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 129369274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).