N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine

C12H21NS2 — CID 65128461

IUPACN-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CSCC
InChIInChI=1S/C12H21NS2/c1-3-13-11(10-14-4-2)7-8-12-6-5-9-15-12/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyCLYDXBFZEOEVSX-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine

N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 65128461) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
PubChem CID65128461
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CSCC
InChIInChI=1S/C12H21NS2/c1-3-13-11(10-14-4-2)7-8-12-6-5-9-15-12/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyCLYDXBFZEOEVSX-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine (CID 65128461) is N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)CSCC.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is CLYDXBFZEOEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-3-13-11(10-14-4-2)7-8-12-6-5-9-15-12/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine?
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 65128461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).