3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine

C12H21NS2 — CID 102840731

IUPAC3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1ccsc1C
InChIInChI=1S/C12H21NS2/c1-4-7-13-12(6-8-14-3)11-5-9-15-10(11)2/h5,9,12-13H,4,6-8H2,1-3H3
InChIKeyOWIYLTZIIDBPKK-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.85
Rot. Bonds7

About 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine

3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 102840731) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID102840731
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1ccsc1C
InChIInChI=1S/C12H21NS2/c1-4-7-13-12(6-8-14-3)11-5-9-15-10(11)2/h5,9,12-13H,4,6-8H2,1-3H3
InChIKeyOWIYLTZIIDBPKK-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 102840351
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 102841379
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105172818
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 102840731) is 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(CCSC)c1ccsc1C.
What is the InChIKey of 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is OWIYLTZIIDBPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-4-7-13-12(6-8-14-3)11-5-9-15-10(11)2/h5,9,12-13H,4,6-8H2,1-3H3.
What are the key properties of 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 243.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 102840731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).