2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine

C9H15NS2 — CID 115757742

IUPAC2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCSC(C)CNCc1ccsc1
InChIInChI=1S/C9H15NS2/c1-8(11-2)5-10-6-9-3-4-12-7-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyYKGRZTGAGCBVPL-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.59
Rot. Bonds5

About 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine

2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 115757742) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID115757742
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCSC(C)CNCc1ccsc1
InChIInChI=1S/C9H15NS2/c1-8(11-2)5-10-6-9-3-4-12-7-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyYKGRZTGAGCBVPL-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 115757742) is 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine is CSC(C)CNCc1ccsc1.
What is the InChIKey of 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is YKGRZTGAGCBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-8(11-2)5-10-6-9-3-4-12-7-9/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine?
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 201.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115757742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).