1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide

C9H16N2O2S — CID 63657950

IUPAC1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)CC#N
InChIInChI=1S/C9H16N2O2S/c1-11(14(12,13)7-6-10)8-9-4-2-3-5-9/h9H,2-5,7-8H2,1H3
InChIKeyBBTIQRSGNFRAAC-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.96
Rot. Bonds4

About 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide

1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide (PubChem CID 63657950) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide
PubChem CID63657950
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)CC#N
InChIInChI=1S/C9H16N2O2S/c1-11(14(12,13)7-6-10)8-9-4-2-3-5-9/h9H,2-5,7-8H2,1H3
InChIKeyBBTIQRSGNFRAAC-UHFFFAOYSA-N
XLogP0.96
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide (CID 63657950) is 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide is CN(CC1CCCC1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide?
The InChIKey is BBTIQRSGNFRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(14(12,13)7-6-10)8-9-4-2-3-5-9/h9H,2-5,7-8H2,1H3.
What are the key properties of 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide?
1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclopentylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 63657950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).