1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine

C14H24ClNO2S2 — CID 103406216

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1scc(C)c1Cl
InChIInChI=1S/C14H24ClNO2S2/c1-4-8-16-12(7-6-9-20(17,18)5-2)14-13(15)11(3)10-19-14/h10,12,16H,4-9H2,1-3H3
InChIKeyQYAMYTARNJBVJY-UHFFFAOYSA-N
MW337.94 g/mol
LogP3.97
Rot. Bonds9

About 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine

1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine (PubChem CID 103406216) has the molecular formula C14H24ClNO2S2 and a molecular weight of 337.94 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
PubChem CID103406216
Molecular FormulaC14H24ClNO2S2
Molecular Weight337.94 g/mol
Exact Mass337.09
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1scc(C)c1Cl
InChIInChI=1S/C14H24ClNO2S2/c1-4-8-16-12(7-6-9-20(17,18)5-2)14-13(15)11(3)10-19-14/h10,12,16H,4-9H2,1-3H3
InChIKeyQYAMYTARNJBVJY-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 103406210
1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538
1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103408445
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 103406671
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
CID 103408474
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
CID 104806146
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103407156
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine (CID 103406216) is 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine?
The InChIKey is QYAMYTARNJBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2S2/c1-4-8-16-12(7-6-9-20(17,18)5-2)14-13(15)11(3)10-19-14/h10,12,16H,4-9H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine?
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine has a molecular weight of 337.94 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 103406216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).