2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine

C12H21NS2 — CID 115656639

IUPAC2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCc1ccsc1)SC
InChIInChI=1S/C12H21NS2/c1-4-12(5-2,14-3)10-13-8-11-6-7-15-9-11/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyOOFSPGYAOUXUHI-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.76
Rot. Bonds7

About 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine

2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 115656639) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID115656639
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCc1ccsc1)SC
InChIInChI=1S/C12H21NS2/c1-4-12(5-2,14-3)10-13-8-11-6-7-15-9-11/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyOOFSPGYAOUXUHI-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methylsulfanyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686344
N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702096
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702080
N-[(3-bromo-4-fluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 114115595
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702143
5-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]thiophene-2-carbonitrile
CID 103729248
2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine (CID 115656639) is 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine is CCC(CC)(CNCc1ccsc1)SC.
What is the InChIKey of 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is OOFSPGYAOUXUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-4-12(5-2,14-3)10-13-8-11-6-7-15-9-11/h6-7,9,13H,4-5,8,10H2,1-3H3.
What are the key properties of 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine?
2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 243.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylsulfanyl-N-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 115656639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).