9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one

C18H25ClN2O2S — CID 143229604

IUPAC9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1c(Cl)cccc1S(=O)N1CCCC2(CCN(C(C)C)C2=O)C1
InChIInChI=1S/C18H25ClN2O2S/c1-13(2)21-11-9-18(17(21)22)8-5-10-20(12-18)24(23)16-7-4-6-15(19)14(16)3/h4,6-7,13H,5,8-12H2,1-3H3
InChIKeyAAGPOINGNWGIFM-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.39
Rot. Bonds3

About 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one

9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 143229604) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID143229604
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1c(Cl)cccc1S(=O)N1CCCC2(CCN(C(C)C)C2=O)C1
InChIInChI=1S/C18H25ClN2O2S/c1-13(2)21-11-9-18(17(21)22)8-5-10-20(12-18)24(23)16-7-4-6-15(19)14(16)3/h4,6-7,13H,5,8-12H2,1-3H3
InChIKeyAAGPOINGNWGIFM-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 72847802
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 154959785
6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
CID 72917334
N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 72874541
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 45074134
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
CID 72856465
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
(5R)-7-propan-2-yl-2-(3-prop-2-enoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148863
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074133
3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one (CID 143229604) is 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one is Cc1c(Cl)cccc1S(=O)N1CCCC2(CCN(C(C)C)C2=O)C1.
What is the InChIKey of 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is AAGPOINGNWGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c1-13(2)21-11-9-18(17(21)22)8-5-10-20(12-18)24(23)16-7-4-6-15(19)14(16)3/h4,6-7,13H,5,8-12H2,1-3H3.
What are the key properties of 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 368.93 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-methylphenyl)sulfinyl-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 143229604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).