N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine

C10H17NS2 — CID 143375759

IUPACN-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCCCN(C)CCSc1cccs1
InChIInChI=1S/C10H17NS2/c1-3-6-11(2)7-9-13-10-5-4-8-12-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeySLJBMGRAWIIWEH-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.18
Rot. Bonds6

About N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine

N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (PubChem CID 143375759) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
PubChem CID143375759
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC NameN-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCCCN(C)CCSc1cccs1
InChIInChI=1S/C10H17NS2/c1-3-6-11(2)7-9-13-10-5-4-8-12-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeySLJBMGRAWIIWEH-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (CID 143375759) is N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is CCCN(C)CCSc1cccs1.
What is the InChIKey of N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is SLJBMGRAWIIWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-3-6-11(2)7-9-13-10-5-4-8-12-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 215.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 143375759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).