3-(2-methylpropylsulfanyl)cyclopentan-1-amine

C9H19NS — CID 64722454

IUPAC3-(2-methylpropylsulfanyl)cyclopentan-1-amine
SMILESCC(C)CSC1CCC(N)C1
InChIInChI=1S/C9H19NS/c1-7(2)6-11-9-4-3-8(10)5-9/h7-9H,3-6,10H2,1-2H3
InChIKeyHONNRITXPZNJHK-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds3

About 3-(2-methylpropylsulfanyl)cyclopentan-1-amine

3-(2-methylpropylsulfanyl)cyclopentan-1-amine (PubChem CID 64722454) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropylsulfanyl)cyclopentan-1-amine
PubChem CID64722454
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-(2-methylpropylsulfanyl)cyclopentan-1-amine
SMILESCC(C)CSC1CCC(N)C1
InChIInChI=1S/C9H19NS/c1-7(2)6-11-9-4-3-8(10)5-9/h7-9H,3-6,10H2,1-2H3
InChIKeyHONNRITXPZNJHK-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 3-(2-methylpropylsulfanyl)cyclopentan-1-amine (CID 64722454) is 3-(2-methylpropylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 3-(2-methylpropylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 3-(2-methylpropylsulfanyl)cyclopentan-1-amine is CC(C)CSC1CCC(N)C1.
What is the InChIKey of 3-(2-methylpropylsulfanyl)cyclopentan-1-amine?
The InChIKey is HONNRITXPZNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)6-11-9-4-3-8(10)5-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfanyl)cyclopentan-1-amine?
3-(2-methylpropylsulfanyl)cyclopentan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64722454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).