N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide

C12H21N3O2S — CID 61123502

IUPACN-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCC2)CCCCCC1
InChIInChI=1S/C12H21N3O2S/c13-11-12(7-3-1-2-4-8-12)14-18(16,17)15-9-5-6-10-15/h14H,1-10H2
InChIKeyZRRRQCPSZGGUJC-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.53
Rot. Bonds3

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

N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide (PubChem CID 61123502) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
PubChem CID61123502
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCC2)CCCCCC1
InChIInChI=1S/C12H21N3O2S/c13-11-12(7-3-1-2-4-8-12)14-18(16,17)15-9-5-6-10-15/h14H,1-10H2
InChIKeyZRRRQCPSZGGUJC-UHFFFAOYSA-N
XLogP1.53
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]pyrrolidine-1-sulfonamide
CID 28940656
N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide
CID 43598289
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
N-(1-cyanocyclopentyl)pyrrolidine-1-sulfonamide
CID 55029391
N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
CID 60723802
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
CID 61122100
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
CID 61123301
N-(1-cyanocycloheptyl)-3-methylpiperidine-1-sulfonamide
CID 61123699
N-(1-cyanocycloheptyl)azepane-1-sulfonamide
CID 61124102
1-Cyano-1-(diethylsulfamoylamino)cycloheptane
CID 61124695
N-(1-cyanocycloheptyl)piperidine-1-sulfonamide
CID 61124890

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide (CID 61123502) is N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide?
The InChIKey is ZRRRQCPSZGGUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c13-11-12(7-3-1-2-4-8-12)14-18(16,17)15-9-5-6-10-15/h14H,1-10H2.
What are the key properties of N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide?
N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61123502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).