3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine

C11H19NS2 — CID 105153946

IUPAC3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCSC)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-3-6-12-11(5-7-13-2)10-4-8-14-9-10/h4,8-9,11-12H,3,5-7H2,1-2H3
InChIKeyZRQIPELGXRFVRT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.54
Rot. Bonds7

About 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine

3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 105153946) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
PubChem CID105153946
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCSC)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-3-6-12-11(5-7-13-2)10-4-8-14-9-10/h4,8-9,11-12H,3,5-7H2,1-2H3
InChIKeyZRQIPELGXRFVRT-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
CID 79179129
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105168322
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine (CID 105153946) is 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine is CCCNC(CCSC)c1ccsc1.
What is the InChIKey of 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is ZRQIPELGXRFVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-6-12-11(5-7-13-2)10-4-8-14-9-10/h4,8-9,11-12H,3,5-7H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine?
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105153946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).