N-[(1-methylcyclopentyl)methyl]methanesulfonamide

C8H17NO2S — CID 63822878

IUPACN-[(1-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1(CNS(C)(=O)=O)CCCC1
InChIInChI=1S/C8H17NO2S/c1-8(5-3-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyJGJPMXNMQOXHHZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.12
Rot. Bonds3

About N-[(1-methylcyclopentyl)methyl]methanesulfonamide

N-[(1-methylcyclopentyl)methyl]methanesulfonamide (PubChem CID 63822878) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]methanesulfonamide
PubChem CID63822878
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(1-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1(CNS(C)(=O)=O)CCCC1
InChIInChI=1S/C8H17NO2S/c1-8(5-3-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyJGJPMXNMQOXHHZ-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]methanesulfonamide (CID 63822878) is N-[(1-methylcyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]methanesulfonamide is CC1(CNS(C)(=O)=O)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]methanesulfonamide?
The InChIKey is JGJPMXNMQOXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(5-3-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]methanesulfonamide?
N-[(1-methylcyclopentyl)methyl]methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 63822878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).