(1-methylsulfonylcyclopentyl)methanamine

C7H15NO2S — CID 47003544

IUPAC(1-methylsulfonylcyclopentyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7(6-8)4-2-3-5-7/h2-6,8H2,1H3
InChIKeyYIHCDJHLBGVHNU-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.30
Rot. Bonds2

About (1-methylsulfonylcyclopentyl)methanamine

(1-methylsulfonylcyclopentyl)methanamine (PubChem CID 47003544) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (1-methylsulfonylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylcyclopentyl)methanamine
PubChem CID47003544
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(1-methylsulfonylcyclopentyl)methanamine
SMILESCS(=O)(=O)C1(CN)CCCC1
InChIInChI=1S/C7H15NO2S/c1-11(9,10)7(6-8)4-2-3-5-7/h2-6,8H2,1H3
InChIKeyYIHCDJHLBGVHNU-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclopentyl)methanamine?
The IUPAC name of (1-methylsulfonylcyclopentyl)methanamine (CID 47003544) is (1-methylsulfonylcyclopentyl)methanamine.
What is the SMILES notation for (1-methylsulfonylcyclopentyl)methanamine?
The canonical SMILES for (1-methylsulfonylcyclopentyl)methanamine is CS(=O)(=O)C1(CN)CCCC1.
What is the InChIKey of (1-methylsulfonylcyclopentyl)methanamine?
The InChIKey is YIHCDJHLBGVHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)7(6-8)4-2-3-5-7/h2-6,8H2,1H3.
What are the key properties of (1-methylsulfonylcyclopentyl)methanamine?
(1-methylsulfonylcyclopentyl)methanamine has a molecular weight of 177.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclopentyl)methanamine is sourced from PubChem (CID 47003544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).