[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine

C10H21NS — CID 43529823

IUPAC[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine
SMILESCC(C)CSC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyOKRIAPQEXYVGAU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds4

About [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine

[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine (PubChem CID 43529823) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine
PubChem CID43529823
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine
SMILESCC(C)CSC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyOKRIAPQEXYVGAU-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine (CID 43529823) is [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine is CC(C)CSC1CCCC1CN.
What is the InChIKey of [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine?
The InChIKey is OKRIAPQEXYVGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine?
[2-(2-methylpropylsulfanyl)cyclopentyl]methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylsulfanyl)cyclopentyl]methanamine is sourced from PubChem (CID 43529823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).