N-(1-cyanocyclohexyl)ethanesulfonamide

C9H16N2O2S — CID 61122877

IUPACN-(1-cyanocyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C9H16N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKeyITLRDVDZINQTLW-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.15
Rot. Bonds3

About N-(1-cyanocyclohexyl)ethanesulfonamide

N-(1-cyanocyclohexyl)ethanesulfonamide (PubChem CID 61122877) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)ethanesulfonamide
PubChem CID61122877
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1-cyanocyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C9H16N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKeyITLRDVDZINQTLW-UHFFFAOYSA-N
XLogP1.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
C-(1-Amino-cyclohexyl)-N,N-dimethyl-methanesulfonamide
CID 58947953
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607
1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide
CID 71057617
1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
CID 71057763
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide
CID 71057840

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)ethanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)ethanesulfonamide (CID 61122877) is N-(1-cyanocyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)ethanesulfonamide?
The InChIKey is ITLRDVDZINQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-14(12,13)11-9(8-10)6-4-3-5-7-9/h11H,2-7H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)ethanesulfonamide?
N-(1-cyanocyclohexyl)ethanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)ethanesulfonamide is sourced from PubChem (CID 61122877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).