(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide

C12H22N2OS — CID 153296109

IUPAC(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESCC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2OS/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4/h10,14H,5-8H2,1-4H3/t10?,12?,16-/m0/s1
InChIKeyHKXGBKNSMOEUMD-MLHMAEKDSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds2

About (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide

(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide (PubChem CID 153296109) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
PubChem CID153296109
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESCC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2OS/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4/h10,14H,5-8H2,1-4H3/t10?,12?,16-/m0/s1
InChIKeyHKXGBKNSMOEUMD-MLHMAEKDSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[[(2S,5R)-2-cyano-5-methylheptan-2-yl]amino]-oxidosulfanium
CID 57935238
N-[(2S,5R)-2-cyano-5-methylheptan-2-yl]-2-methylpropane-1-sulfinamide
CID 87653070
N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
CID 90799655
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 158218703
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfonamide
CID 55233411
N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
CID 61122090
N-(1-cyano-4-methylcyclohexyl)cyclohexanesulfonamide
CID 61122482
N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide
CID 61122891
N-(1-cyano-4-methylcyclohexyl)methanesulfonamide
CID 61123090
N-(1-cyano-4-ethylcyclohexyl)butane-1-sulfonamide
CID 61123099

Frequently Asked Questions

What is the IUPAC name of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide (CID 153296109) is (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide is CC1CCC(C#N)(N[S@@](=O)C(C)(C)C)CC1.
What is the InChIKey of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide?
The InChIKey is HKXGBKNSMOEUMD-MLHMAEKDSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-5-7-12(9-13,8-6-10)14-16(15)11(2,3)4/h10,14H,5-8H2,1-4H3/t10?,12?,16-/m0/s1.
What are the key properties of (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide?
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide has a molecular weight of 242.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 153296109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).