1-cyano-N-(1-methylcyclopentyl)methanesulfonamide

C8H14N2O2S — CID 64687445

IUPAC1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CCCC1
InChIInChI=1S/C8H14N2O2S/c1-8(4-2-3-5-8)10-13(11,12)7-6-9/h10H,2-5,7H2,1H3
InChIKeyDYRRXLSCGHXHDX-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.76
Rot. Bonds3

About 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide

1-cyano-N-(1-methylcyclopentyl)methanesulfonamide (PubChem CID 64687445) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
PubChem CID64687445
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)CC#N)CCCC1
InChIInChI=1S/C8H14N2O2S/c1-8(4-2-3-5-8)10-13(11,12)7-6-9/h10H,2-5,7H2,1H3
InChIKeyDYRRXLSCGHXHDX-UHFFFAOYSA-N
XLogP0.76
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide (CID 64687445) is 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide is CC1(NS(=O)(=O)CC#N)CCCC1.
What is the InChIKey of 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide?
The InChIKey is DYRRXLSCGHXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8(4-2-3-5-8)10-13(11,12)7-6-9/h10H,2-5,7H2,1H3.
What are the key properties of 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide?
1-cyano-N-(1-methylcyclopentyl)methanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 64687445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).