5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine

C13H21NS — CID 170206140

IUPAC5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine
SMILESCc1sc(C2CCCC2)cc1NC(C)C
InChIInChI=1S/C13H21NS/c1-9(2)14-12-8-13(15-10(12)3)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3
InChIKeyFLZIFGVIJFHEPF-UHFFFAOYSA-N
MW223.39 g/mol
LogP4.53
Rot. Bonds3

About 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine

5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine (PubChem CID 170206140) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine
PubChem CID170206140
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine
SMILESCc1sc(C2CCCC2)cc1NC(C)C
InChIInChI=1S/C13H21NS/c1-9(2)14-12-8-13(15-10(12)3)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3
InChIKeyFLZIFGVIJFHEPF-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine?
The IUPAC name of 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine (CID 170206140) is 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine.
What is the SMILES notation for 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine?
The canonical SMILES for 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine is Cc1sc(C2CCCC2)cc1NC(C)C.
What is the InChIKey of 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine?
The InChIKey is FLZIFGVIJFHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(2)14-12-8-13(15-10(12)3)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine?
5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine has a molecular weight of 223.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyl-N-propan-2-ylthiophen-3-amine is sourced from PubChem (CID 170206140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).