4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine

C11H19NS2 — CID 115722040

IUPAC4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
SMILESCSCCC(C)NC(C)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(4-6-13-3)12-10(2)11-5-7-14-8-11/h5,7-10,12H,4,6H2,1-3H3
InChIKeyLVRDJLOGIMVKPG-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.54
Rot. Bonds6

About 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine

4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine (PubChem CID 115722040) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
PubChem CID115722040
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
SMILESCSCCC(C)NC(C)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(4-6-13-3)12-10(2)11-5-7-14-8-11/h5,7-10,12H,4,6H2,1-3H3
InChIKeyLVRDJLOGIMVKPG-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
N-[1-(3-methylphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115663825
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115722060
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine (CID 115722040) is 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine is CSCCC(C)NC(C)c1ccsc1.
What is the InChIKey of 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine?
The InChIKey is LVRDJLOGIMVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-9(4-6-13-3)12-10(2)11-5-7-14-8-11/h5,7-10,12H,4,6H2,1-3H3.
What are the key properties of 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine?
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine is sourced from PubChem (CID 115722040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).