N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide

C11H20N2O2S — CID 61122090

IUPACN-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H20N2O2S/c1-9(2)16(14,15)13-11(8-12)6-4-10(3)5-7-11/h9-10,13H,4-7H2,1-3H3
InChIKeyDSKCPAXNWJMYHS-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.79
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide

N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide (PubChem CID 61122090) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
PubChem CID61122090
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
SMILESCC1CCC(C#N)(NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H20N2O2S/c1-9(2)16(14,15)13-11(8-12)6-4-10(3)5-7-11/h9-10,13H,4-7H2,1-3H3
InChIKeyDSKCPAXNWJMYHS-UHFFFAOYSA-N
XLogP1.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61124877
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 153296109
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 158218703
4-amino-N-ethylsulfonylcyclohexane-1-carbonitrilium
CID 169825262
N-[1-(aminomethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 28940716
N-[1-(aminomethyl)-4-methylcyclohexyl]butane-1-sulfonamide
CID 28940718

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide (CID 61122090) is N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide is CC1CCC(C#N)(NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide?
The InChIKey is DSKCPAXNWJMYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(2)16(14,15)13-11(8-12)6-4-10(3)5-7-11/h9-10,13H,4-7H2,1-3H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide?
N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 61122090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).