1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide

C9H16N2O2S2 — CID 103850413

IUPAC1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
SMILESCSC1CCCC(NS(=O)(=O)CC#N)C1
InChIInChI=1S/C9H16N2O2S2/c1-14-9-4-2-3-8(7-9)11-15(12,13)6-5-10/h8-9,11H,2-4,6-7H2,1H3
InChIKeyJYFLVWDNQNCCRS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.10
Rot. Bonds4

About 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide

1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide (PubChem CID 103850413) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
PubChem CID103850413
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
SMILESCSC1CCCC(NS(=O)(=O)CC#N)C1
InChIInChI=1S/C9H16N2O2S2/c1-14-9-4-2-3-8(7-9)11-15(12,13)6-5-10/h8-9,11H,2-4,6-7H2,1H3
InChIKeyJYFLVWDNQNCCRS-UHFFFAOYSA-N
XLogP1.10
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 113338251
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
1-cyano-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609527
1-cyano-N-(5-methylthiolan-3-yl)methanesulfonamide
CID 131014899
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
CID 114123736
5-methyl-4-(methylaminomethyl)-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106091335
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001244
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
CID 107857517
2-[[(3-methylsulfanylcyclohexyl)amino]methyl]benzonitrile
CID 113338452

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide (CID 103850413) is 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide is CSC1CCCC(NS(=O)(=O)CC#N)C1.
What is the InChIKey of 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide?
The InChIKey is JYFLVWDNQNCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-14-9-4-2-3-8(7-9)11-15(12,13)6-5-10/h8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide?
1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 103850413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).