2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

Name: 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉NS₂ — CID 115895530

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

SMILESCSC(C)CNC(C)c1ccc(C)s1

InChIInChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3

InChIKeyVKCZYEXCDHHCLV-UHFFFAOYSA-N

MW229.41 g/mol

LogP3.46

Rot. Bonds5

About 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115895530) has the molecular formula C₁₁H₁₉NS₂ and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name	2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID	115895530
Molecular Formula	C₁₁H₁₉NS₂
Molecular Weight	229.41 g/mol
Exact Mass	229.10
IUPAC Name	2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILES	CSC(C)CNC(C)c1ccc(C)s1
InChI	InChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3
InChIKey	VKCZYEXCDHHCLV-UHFFFAOYSA-N
XLogP	3.46
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.41
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?

The IUPAC name of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 115895530) is 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

What is the SMILES notation for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?

The canonical SMILES for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CSC(C)CNC(C)c1ccc(C)s1.

What is the InChIKey of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?

The InChIKey is VKCZYEXCDHHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3.

What are the key properties of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?

2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115895530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115895530 — identifiers, structure, computed properties (public domain)

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