(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one

C19H25FN2O3S — CID 97115364

IUPAC(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C19H25FN2O3S/c1-14-3-4-15(20)11-17(14)26(24,25)21-10-2-8-19(12-21)9-7-18(23)22(13-19)16-5-6-16/h3-4,11,16H,2,5-10,12-13H2,1H3/t19-/m0/s1
InChIKeyKIMVBDRIGFLSIA-IBGZPJMESA-N
MW380.49 g/mol
LogP2.69
Rot. Bonds3

About (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97115364) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97115364
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C19H25FN2O3S/c1-14-3-4-15(20)11-17(14)26(24,25)21-10-2-8-19(12-21)9-7-18(23)22(13-19)16-5-6-16/h3-4,11,16H,2,5-10,12-13H2,1H3/t19-/m0/s1
InChIKeyKIMVBDRIGFLSIA-IBGZPJMESA-N
XLogP2.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one 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

2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-(5-fluoro-2-methylphenyl)sulfonyl-3-isocyanatopiperidine
CID 43344378
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
9-(4-fluoro-2-methylphenyl)sulfonyl-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72863038
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177

Frequently Asked Questions

What is the IUPAC name of (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one (CID 97115364) is (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one is Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is KIMVBDRIGFLSIA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN2O3S/c1-14-3-4-15(20)11-17(14)26(24,25)21-10-2-8-19(12-21)9-7-18(23)22(13-19)16-5-6-16/h3-4,11,16H,2,5-10,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97115364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).