2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine

C11H19NS2 — CID 65133054

IUPAC2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(CSC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-11(2,3)14-8-10(12-4)9-5-6-13-7-9/h5-7,10,12H,8H2,1-4H3
InChIKeyILPWKEUQFQDPAA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.54
Rot. Bonds4

About 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine

2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine (PubChem CID 65133054) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
PubChem CID65133054
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
SMILESCNC(CSC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS2/c1-11(2,3)14-8-10(12-4)9-5-6-13-7-9/h5-7,10,12H,8H2,1-4H3
InChIKeyILPWKEUQFQDPAA-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine
CID 63656286
N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
CID 62395733
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114391
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine (CID 65133054) is 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine is CNC(CSC(C)(C)C)c1ccsc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine?
The InChIKey is ILPWKEUQFQDPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-11(2,3)14-8-10(12-4)9-5-6-13-7-9/h5-7,10,12H,8H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine?
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 65133054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).