N-(1-cyanocyclohexyl)-N-methylethanesulfonamide

C10H18N2O2S — CID 82128567

IUPACN-(1-cyanocyclohexyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-15(13,14)12(2)10(9-11)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyDFIFWBRCYVCTLK-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.49
Rot. Bonds3

About N-(1-cyanocyclohexyl)-N-methylethanesulfonamide

N-(1-cyanocyclohexyl)-N-methylethanesulfonamide (PubChem CID 82128567) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methylethanesulfonamide
PubChem CID82128567
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyanocyclohexyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-15(13,14)12(2)10(9-11)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyDFIFWBRCYVCTLK-UHFFFAOYSA-N
XLogP1.49
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methylethanesulfonamide (CID 82128567) is N-(1-cyanocyclohexyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methylethanesulfonamide?
The InChIKey is DFIFWBRCYVCTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-15(13,14)12(2)10(9-11)7-5-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methylethanesulfonamide?
N-(1-cyanocyclohexyl)-N-methylethanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methylethanesulfonamide is sourced from PubChem (CID 82128567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).