N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide

C9H16N2O2S — CID 82127083

IUPACN-(1-cyanocyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1(C#N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-11(14(2,12)13)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeyKVKZTXRPFNKPPI-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.10
Rot. Bonds2

About N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide

N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide (PubChem CID 82127083) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methylmethanesulfonamide
PubChem CID82127083
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1-cyanocyclohexyl)-N-methylmethanesulfonamide
SMILESCN(C1(C#N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-11(14(2,12)13)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
InChIKeyKVKZTXRPFNKPPI-UHFFFAOYSA-N
XLogP1.10
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.10
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-methylmethanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide (CID 82127083) is N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide is CN(C1(C#N)CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide?
The InChIKey is KVKZTXRPFNKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(14(2,12)13)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide?
N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 82127083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).