(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C18H22F2N2O3S — CID 97121265

IUPAC(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C18H22F2N2O3S/c19-14-4-5-16(15(20)10-14)26(24,25)22-9-7-18(12-22)6-1-8-21(17(18)23)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2/t18-/m0/s1
InChIKeyUSOYAGQPJFHXJS-SFHVURJKSA-N
MW384.45 g/mol
LogP2.38
Rot. Bonds4

About (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97121265) has the molecular formula C18H22F2N2O3S and a molecular weight of 384.45 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97121265
Molecular FormulaC18H22F2N2O3S
Molecular Weight384.45 g/mol
Exact Mass384.13
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C18H22F2N2O3S/c19-14-4-5-16(15(20)10-14)26(24,25)22-9-7-18(12-22)6-1-8-21(17(18)23)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2/t18-/m0/s1
InChIKeyUSOYAGQPJFHXJS-SFHVURJKSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97121265) is (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is USOYAGQPJFHXJS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22F2N2O3S/c19-14-4-5-16(15(20)10-14)26(24,25)22-9-7-18(12-22)6-1-8-21(17(18)23)11-13-2-3-13/h4-5,10,13H,1-3,6-9,11-12H2/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-(2,4-difluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).