N-(1-cyanocycloheptyl)ethanesulfonamide

C10H18N2O2S — CID 61123695

IUPACN-(1-cyanocycloheptyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-8H2,1H3
InChIKeyULHICCMEQDUENO-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.54
Rot. Bonds3

About N-(1-cyanocycloheptyl)ethanesulfonamide

N-(1-cyanocycloheptyl)ethanesulfonamide (PubChem CID 61123695) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)ethanesulfonamide
PubChem CID61123695
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyanocycloheptyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-8H2,1H3
InChIKeyULHICCMEQDUENO-UHFFFAOYSA-N
XLogP1.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyanocycloheptyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059697
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
N-[(2S,5R)-2-cyano-5-methylheptan-2-yl]-2-methylpropane-1-sulfinamide
CID 87653070
N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
CID 90799655
N-[1-(aminomethyl)cycloheptyl]ethanesulfonamide
CID 28940676
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
N-[1-(aminomethyl)cycloheptyl]propane-1-sulfonamide
CID 28940680
N-[(1-aminocycloheptyl)methyl]propane-1-sulfonamide
CID 43598334
N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
CID 43598336
N-[(1-aminocycloheptyl)methyl]ethanesulfonamide
CID 43598337
3-chloro-N-(1-cyanocycloheptyl)propane-1-sulfonamide
CID 43654150

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)ethanesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)ethanesulfonamide (CID 61123695) is N-(1-cyanocycloheptyl)ethanesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)ethanesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)ethanesulfonamide is CCS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)ethanesulfonamide?
The InChIKey is ULHICCMEQDUENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-15(13,14)12-10(9-11)7-5-3-4-6-8-10/h12H,2-8H2,1H3.
What are the key properties of N-(1-cyanocycloheptyl)ethanesulfonamide?
N-(1-cyanocycloheptyl)ethanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)ethanesulfonamide is sourced from PubChem (CID 61123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).