2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine

C11H19NS2 — CID 107748996

IUPAC2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
SMILESCCC(C)CSC(CN)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-3-9(2)7-14-11(6-12)10-4-5-13-8-10/h4-5,8-9,11H,3,6-7,12H2,1-2H3
InChIKeySFSMHEOTKDYCOH-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine

2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine (PubChem CID 107748996) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
PubChem CID107748996
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine
SMILESCCC(C)CSC(CN)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-3-9(2)7-14-11(6-12)10-4-5-13-8-10/h4-5,8-9,11H,3,6-7,12H2,1-2H3
InChIKeySFSMHEOTKDYCOH-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-2-(2-methylbutylsulfanyl)ethanamine
CID 107749006
3-[(2R)-2-methylbutyl]sulfanylthiophene
CID 125451197
2-(2-methylbutylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 107748920
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
(3R)-3-ethylsulfanyl-3-thiophen-3-ylpropanal
CID 102046723
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
CID 62064771
2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
CID 62994820
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
3-hexan-2-ylthiophene
CID 18454785
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine (CID 107748996) is 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine is CCC(C)CSC(CN)c1ccsc1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine?
The InChIKey is SFSMHEOTKDYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-9(2)7-14-11(6-12)10-4-5-13-8-10/h4-5,8-9,11H,3,6-7,12H2,1-2H3.
What are the key properties of 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine?
2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 107748996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).