2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine

C10H21NO2S — CID 63278108

IUPAC2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
SMILESCC1CCCC1NCCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-9-5-3-6-10(9)11-7-4-8-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyULIBTLJFCUTSFL-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds5

About 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine

2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine (PubChem CID 63278108) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
PubChem CID63278108
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
SMILESCC1CCCC1NCCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-9-5-3-6-10(9)11-7-4-8-14(2,12)13/h9-11H,3-8H2,1-2H3
InChIKeyULIBTLJFCUTSFL-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine (CID 63278108) is 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine is CC1CCCC1NCCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
The InChIKey is ULIBTLJFCUTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9-5-3-6-10(9)11-7-4-8-14(2,12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine?
2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 63278108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).