3-cyclohexyl-N-propylthiophen-2-amine

C13H21NS — CID 70575704

IUPAC3-cyclohexyl-N-propylthiophen-2-amine
SMILESCCCNc1sccc1C1CCCCC1
InChIInChI=1S/C13H21NS/c1-2-9-14-13-12(8-10-15-13)11-6-4-3-5-7-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyFMCUGCKBAYFXQN-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.62
Rot. Bonds4

About 3-cyclohexyl-N-propylthiophen-2-amine

3-cyclohexyl-N-propylthiophen-2-amine (PubChem CID 70575704) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-cyclohexyl-N-propylthiophen-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-propylthiophen-2-amine
PubChem CID70575704
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-cyclohexyl-N-propylthiophen-2-amine
SMILESCCCNc1sccc1C1CCCCC1
InChIInChI=1S/C13H21NS/c1-2-9-14-13-12(8-10-15-13)11-6-4-3-5-7-11/h8,10-11,14H,2-7,9H2,1H3
InChIKeyFMCUGCKBAYFXQN-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propylthiophen-2-amine?
The IUPAC name of 3-cyclohexyl-N-propylthiophen-2-amine (CID 70575704) is 3-cyclohexyl-N-propylthiophen-2-amine.
What is the SMILES notation for 3-cyclohexyl-N-propylthiophen-2-amine?
The canonical SMILES for 3-cyclohexyl-N-propylthiophen-2-amine is CCCNc1sccc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-propylthiophen-2-amine?
The InChIKey is FMCUGCKBAYFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-9-14-13-12(8-10-15-13)11-6-4-3-5-7-11/h8,10-11,14H,2-7,9H2,1H3.
What are the key properties of 3-cyclohexyl-N-propylthiophen-2-amine?
3-cyclohexyl-N-propylthiophen-2-amine has a molecular weight of 223.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propylthiophen-2-amine is sourced from PubChem (CID 70575704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).