1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide

C11H20N2O2S2 — CID 113338251

IUPAC1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCCC(SC)C1
InChIInChI=1S/C11H20N2O2S2/c1-3-11(8-12)17(14,15)13-9-5-4-6-10(7-9)16-2/h9-11,13H,3-7H2,1-2H3
InChIKeyNHQDIFFFQFHRET-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.88
Rot. Bonds5

About 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide

1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide (PubChem CID 113338251) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
PubChem CID113338251
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCCC(SC)C1
InChIInChI=1S/C11H20N2O2S2/c1-3-11(8-12)17(14,15)13-9-5-4-6-10(7-9)16-2/h9-11,13H,3-7H2,1-2H3
InChIKeyNHQDIFFFQFHRET-UHFFFAOYSA-N
XLogP1.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
CID 103850413
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
CID 107172726
1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
CID 103887652
1-cyano-N-(1-oxothian-4-yl)propane-1-sulfonamide
CID 104600188
1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092181
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-(1-hydroxypentan-3-yl)-3-(3-methylsulfanylcyclohexyl)urea
CID 111455606

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide (CID 113338251) is 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC1CCCC(SC)C1.
What is the InChIKey of 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The InChIKey is NHQDIFFFQFHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-11(8-12)17(14,15)13-9-5-4-6-10(7-9)16-2/h9-11,13H,3-7H2,1-2H3.
What are the key properties of 1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.88, 5 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)propane-1-sulfonamide is sourced from PubChem (CID 113338251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).