cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine

C7H15NO2S — CID 166724411

IUPACcis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C[C@@H]1CCC[C@H]1N
InChIInChI=1S/C7H15NO2S/c1-11(9,10)5-6-3-2-4-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyLQQRSFLPHQENNF-NKWVEPMBSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds2

About cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine

cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine (PubChem CID 166724411) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine
PubChem CID166724411
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namecis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C[C@@H]1CCC[C@H]1N
InChIInChI=1S/C7H15NO2S/c1-11(9,10)5-6-3-2-4-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyLQQRSFLPHQENNF-NKWVEPMBSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine (CID 166724411) is cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine is CS(=O)(=O)C[C@@H]1CCC[C@H]1N.
What is the InChIKey of cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine?
The InChIKey is LQQRSFLPHQENNF-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11(9,10)5-6-3-2-4-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine?
cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(methylsulfonylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 166724411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).