N-(1-cyanocycloheptyl)butane-1-sulfonamide

C12H22N2O2S — CID 61123500

IUPACN-(1-cyanocycloheptyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H22N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-10H2,1H3
InChIKeyQIFJWZKTTIBFAX-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.32
Rot. Bonds5

About N-(1-cyanocycloheptyl)butane-1-sulfonamide

N-(1-cyanocycloheptyl)butane-1-sulfonamide (PubChem CID 61123500) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)butane-1-sulfonamide
PubChem CID61123500
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyanocycloheptyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H22N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-10H2,1H3
InChIKeyQIFJWZKTTIBFAX-UHFFFAOYSA-N
XLogP2.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.32
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)butane-1-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)butane-1-sulfonamide (CID 61123500) is N-(1-cyanocycloheptyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)butane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)butane-1-sulfonamide?
The InChIKey is QIFJWZKTTIBFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-2-3-10-17(15,16)14-12(11-13)8-6-4-5-7-9-12/h14H,2-10H2,1H3.
What are the key properties of N-(1-cyanocycloheptyl)butane-1-sulfonamide?
N-(1-cyanocycloheptyl)butane-1-sulfonamide has a molecular weight of 258.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)butane-1-sulfonamide is sourced from PubChem (CID 61123500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).