2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H18ClNS2 — CID 82690616

IUPAC2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCc1ccc(C(C)NC2CCCc3sc(Cl)cc32)s1
InChIInChI=1S/C15H18ClNS2/c1-9-6-7-13(18-9)10(2)17-12-4-3-5-14-11(12)8-15(16)19-14/h6-8,10,12,17H,3-5H2,1-2H3
InChIKeySVXPQVLUIJIXRD-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.50
Rot. Bonds3

About 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82690616) has the molecular formula C15H18ClNS2 and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82690616
Molecular FormulaC15H18ClNS2
Molecular Weight311.90 g/mol
Exact Mass311.06
IUPAC Name2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCc1ccc(C(C)NC2CCCc3sc(Cl)cc32)s1
InChIInChI=1S/C15H18ClNS2/c1-9-6-7-13(18-9)10(2)17-12-4-3-5-14-11(12)8-15(16)19-14/h6-8,10,12,17H,3-5H2,1-2H3
InChIKeySVXPQVLUIJIXRD-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82690616) is 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Cc1ccc(C(C)NC2CCCc3sc(Cl)cc32)s1.
What is the InChIKey of 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is SVXPQVLUIJIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS2/c1-9-6-7-13(18-9)10(2)17-12-4-3-5-14-11(12)8-15(16)19-14/h6-8,10,12,17H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 311.90 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82690616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).