N-(1-cyanocycloheptyl)propane-2-sulfonamide

C11H20N2O2S — CID 61122497

IUPACN-(1-cyanocycloheptyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2O2S/c1-10(2)16(14,15)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3
InChIKeyPPCPZVDIFBBNJP-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.93
Rot. Bonds3

About N-(1-cyanocycloheptyl)propane-2-sulfonamide

N-(1-cyanocycloheptyl)propane-2-sulfonamide (PubChem CID 61122497) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)propane-2-sulfonamide
PubChem CID61122497
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyanocycloheptyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2O2S/c1-10(2)16(14,15)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3
InChIKeyPPCPZVDIFBBNJP-UHFFFAOYSA-N
XLogP1.93
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.93
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)propane-2-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)propane-2-sulfonamide (CID 61122497) is N-(1-cyanocycloheptyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)propane-2-sulfonamide?
The InChIKey is PPCPZVDIFBBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2)16(14,15)13-11(9-12)7-5-3-4-6-8-11/h10,13H,3-8H2,1-2H3.
What are the key properties of N-(1-cyanocycloheptyl)propane-2-sulfonamide?
N-(1-cyanocycloheptyl)propane-2-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)propane-2-sulfonamide is sourced from PubChem (CID 61122497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).