(2-propan-2-ylsulfanylcyclopentyl)methanamine

C9H19NS — CID 60885989

IUPAC(2-propan-2-ylsulfanylcyclopentyl)methanamine
SMILESCC(C)SC1CCCC1CN
InChIInChI=1S/C9H19NS/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9H,3-6,10H2,1-2H3
InChIKeyJDSBQBBSCPNGNO-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds3

About (2-propan-2-ylsulfanylcyclopentyl)methanamine

(2-propan-2-ylsulfanylcyclopentyl)methanamine (PubChem CID 60885989) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2-propan-2-ylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-propan-2-ylsulfanylcyclopentyl)methanamine
PubChem CID60885989
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2-propan-2-ylsulfanylcyclopentyl)methanamine
SMILESCC(C)SC1CCCC1CN
InChIInChI=1S/C9H19NS/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9H,3-6,10H2,1-2H3
InChIKeyJDSBQBBSCPNGNO-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 (2-propan-2-ylsulfanylcyclopentyl)methanamine?
The IUPAC name of (2-propan-2-ylsulfanylcyclopentyl)methanamine (CID 60885989) is (2-propan-2-ylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (2-propan-2-ylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (2-propan-2-ylsulfanylcyclopentyl)methanamine is CC(C)SC1CCCC1CN.
What is the InChIKey of (2-propan-2-ylsulfanylcyclopentyl)methanamine?
The InChIKey is JDSBQBBSCPNGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (2-propan-2-ylsulfanylcyclopentyl)methanamine?
(2-propan-2-ylsulfanylcyclopentyl)methanamine 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 (2-propan-2-ylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 60885989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).