7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C19H25FN2O3S — CID 72852319

IUPAC7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCCC12CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O3S/c20-15-6-8-17(9-7-15)26(24,25)21-13-11-19(14-21)10-3-12-22(18(19)23)16-4-1-2-5-16/h6-9,16H,1-5,10-14H2
InChIKeyNKSVDOOVFGHBGN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.77
Rot. Bonds3

About 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72852319) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72852319
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCCC12CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O3S/c20-15-6-8-17(9-7-15)26(24,25)21-13-11-19(14-21)10-3-12-22(18(19)23)16-4-1-2-5-16/h6-9,16H,1-5,10-14H2
InChIKeyNKSVDOOVFGHBGN-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72852319) is 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCCC2)CCCC12CCN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NKSVDOOVFGHBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c20-15-6-8-17(9-7-15)26(24,25)21-13-11-19(14-21)10-3-12-22(18(19)23)16-4-1-2-5-16/h6-9,16H,1-5,10-14H2.
What are the key properties of 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(4-fluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72852319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).