N-(2-cyanocyclopentyl)methanesulfinamide

C7H12N2OS — CID 130815733

IUPACN-(2-cyanocyclopentyl)methanesulfinamide
SMILESCS(=O)NC1CCCC1C#N
InChIInChI=1S/C7H12N2OS/c1-11(10)9-7-4-2-3-6(7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyMLFWNFRJNRCWID-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.56
Rot. Bonds2

About N-(2-cyanocyclopentyl)methanesulfinamide

N-(2-cyanocyclopentyl)methanesulfinamide (PubChem CID 130815733) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)methanesulfinamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)methanesulfinamide
PubChem CID130815733
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(2-cyanocyclopentyl)methanesulfinamide
SMILESCS(=O)NC1CCCC1C#N
InChIInChI=1S/C7H12N2OS/c1-11(10)9-7-4-2-3-6(7)5-8/h6-7,9H,2-4H2,1H3
InChIKeyMLFWNFRJNRCWID-UHFFFAOYSA-N
XLogP0.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[(1S,2S)-2-cyanocyclopentyl]-2-methylpropane-2-sulfinamide
CID 134855623
N-[2-(aminomethyl)cyclopentyl]methanesulfinamide
CID 131184978
N-(2-methylcyclopentyl)methanesulfinamide
CID 135295575
N-(2-cyanocyclopentyl)methanesulfonamide
CID 62963263
N-(2-cyanocyclopentyl)ethanesulfonamide
CID 62963446
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
1-cyano-N-(2-cyanocyclopentyl)propane-1-sulfonamide
CID 65568470
1-cyano-N-(2-cyanocyclopentyl)ethanesulfonamide
CID 65571980
1-bromo-N-(2-cyanocyclopentyl)methanesulfonamide
CID 83085563
2-(Methylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807850
N-(3-cyanocyclopentyl)methanesulfonamide
CID 126991420
N-(2-cyanocyclopentyl)propane-2-sulfinamide
CID 131021137

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)methanesulfinamide?
The IUPAC name of N-(2-cyanocyclopentyl)methanesulfinamide (CID 130815733) is N-(2-cyanocyclopentyl)methanesulfinamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)methanesulfinamide?
The canonical SMILES for N-(2-cyanocyclopentyl)methanesulfinamide is CS(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)methanesulfinamide?
The InChIKey is MLFWNFRJNRCWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-11(10)9-7-4-2-3-6(7)5-8/h6-7,9H,2-4H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)methanesulfinamide?
N-(2-cyanocyclopentyl)methanesulfinamide has a molecular weight of 172.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)methanesulfinamide is sourced from PubChem (CID 130815733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).