(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C20H34N2OS — CID 42556979

IUPAC(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCC[C@@]12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H34N2OS/c23-19-20(10-12-22(16-20)18-7-13-24-14-8-18)9-4-11-21(19)15-17-5-2-1-3-6-17/h17-18H,1-16H2/t20-/m0/s1
InChIKeyYKMLJPCWKACUTD-FQEVSTJZSA-N
MW350.57 g/mol
LogP3.78
Rot. Bonds3

About (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42556979) has the molecular formula C20H34N2OS and a molecular weight of 350.57 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42556979
Molecular FormulaC20H34N2OS
Molecular Weight350.57 g/mol
Exact Mass350.24
IUPAC Name(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCC[C@@]12CCN(C1CCSCC1)C2
InChIInChI=1S/C20H34N2OS/c23-19-20(10-12-22(16-20)18-7-13-24-14-8-18)9-4-11-21(19)15-17-5-2-1-3-6-17/h17-18H,1-16H2/t20-/m0/s1
InChIKeyYKMLJPCWKACUTD-FQEVSTJZSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45252934
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508379
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214580
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 42556979) is (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCCCC2)CCC[C@@]12CCN(C1CCSCC1)C2.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YKMLJPCWKACUTD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34N2OS/c23-19-20(10-12-22(16-20)18-7-13-24-14-8-18)9-4-11-21(19)15-17-5-2-1-3-6-17/h17-18H,1-16H2/t20-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.57 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42556979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).