2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine

C9H19NO2S — CID 63277913

IUPAC2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCC1CCCC1NCCS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8-4-3-5-9(8)10-6-7-13(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyDNAQBKBSHFMVEJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds4

About 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine

2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine (PubChem CID 63277913) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
PubChem CID63277913
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCC1CCCC1NCCS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8-4-3-5-9(8)10-6-7-13(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyDNAQBKBSHFMVEJ-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine (CID 63277913) is 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine is CC1CCCC1NCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is DNAQBKBSHFMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8-4-3-5-9(8)10-6-7-13(2,11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 63277913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).