N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide

C10H18N2O2S — CID 146019770

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

About N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide

N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide (PubChem CID 146019770) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide
PubChem CID146019770
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide
SMILESCCN(C1(C#N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-3-12(15(2,13)14)10(9-11)7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyIUERTJQYSQMCKK-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-ethylmethanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide (CID 146019770) is N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide is CCN(C1(C#N)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide?
The InChIKey is IUERTJQYSQMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-12(15(2,13)14)10(9-11)7-5-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide?
N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide 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-ethylmethanesulfonamide is sourced from PubChem (CID 146019770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).