N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide

C10H18N2OS — CID 130834489

IUPACN-(1-cyano-4-methylcyclohexyl)ethanesulfinamide
SMILESCCS(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C10H18N2OS/c1-3-14(13)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-7H2,1-2H3
InChIKeyLGMPBLVDAZZRQS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.73
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide

N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide (PubChem CID 130834489) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)ethanesulfinamide
PubChem CID130834489
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(1-cyano-4-methylcyclohexyl)ethanesulfinamide
SMILESCCS(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C10H18N2OS/c1-3-14(13)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-7H2,1-2H3
InChIKeyLGMPBLVDAZZRQS-UHFFFAOYSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
CID 74889891
methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
CID 28702826
4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-(1-cyano-4-methylcyclohexyl)-2-ethylhexanamide
CID 61119147
1-(2-azidoethylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189386
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
CID 55260135
N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
CID 55151061
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
1-benzyl-3-(1-cyano-4-methylcyclohexyl)urea
CID 107653431

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide (CID 130834489) is N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide is CCS(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide?
The InChIKey is LGMPBLVDAZZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-14(13)12-10(8-11)6-4-9(2)5-7-10/h9,12H,3-7H2,1-2H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide?
N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide has a molecular weight of 214.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide is sourced from PubChem (CID 130834489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).