(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H30N2O3S — CID 42465599

IUPAC(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19-13-10-17(14-19)9-5-11-18(16(17)20)12-8-15-6-3-2-4-7-15/h15H,2-14H2,1H3/t17-/m0/s1
InChIKeyMJVDZMKQPJRNKQ-KRWDZBQOSA-N
MW342.51 g/mol
LogP2.23
Rot. Bonds4

About (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42465599) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42465599
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19-13-10-17(14-19)9-5-11-18(16(17)20)12-8-15-6-3-2-4-7-15/h15H,2-14H2,1H3/t17-/m0/s1
InChIKeyMJVDZMKQPJRNKQ-KRWDZBQOSA-N
XLogP2.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226798
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508379
7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45212678
(5S)-7-(2-cyclohexylethyl)-2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126436472
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 25372789
(5R)-2-methylsulfonyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25309135
(5R)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453422
(5S)-7-(2-cyclohexylethyl)-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25453417
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490225
9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45252934
(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97118141

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 42465599) is (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is CS(=O)(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MJVDZMKQPJRNKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-23(21,22)19-13-10-17(14-19)9-5-11-18(16(17)20)12-8-15-6-3-2-4-7-15/h15H,2-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.51 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42465599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).