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

C16H21NS2 — CID 65143428

IUPACN-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CSc1ccccc1
InChIInChI=1S/C16H21NS2/c1-2-17-14(10-11-16-9-6-12-18-16)13-19-15-7-4-3-5-8-15/h3-9,12,14,17H,2,10-11,13H2,1H3
InChIKeyOPDBEIGKOSHPHG-UHFFFAOYSA-N
MW291.49 g/mol
LogP4.45
Rot. Bonds8

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

N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 65143428) has the molecular formula C16H21NS2 and a molecular weight of 291.49 g/mol. Its IUPAC name is N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
PubChem CID65143428
Molecular FormulaC16H21NS2
Molecular Weight291.49 g/mol
Exact Mass291.11
IUPAC NameN-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CSc1ccccc1
InChIInChI=1S/C16H21NS2/c1-2-17-14(10-11-16-9-6-12-18-16)13-19-15-7-4-3-5-8-15/h3-9,12,14,17H,2,10-11,13H2,1H3
InChIKeyOPDBEIGKOSHPHG-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
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-phenylsulfanylhex-5-yn-2-amine
CID 65143383
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-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine (CID 65143428) is N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)CSc1ccccc1.
What is the InChIKey of N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is OPDBEIGKOSHPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS2/c1-2-17-14(10-11-16-9-6-12-18-16)13-19-15-7-4-3-5-8-15/h3-9,12,14,17H,2,10-11,13H2,1H3.
What are the key properties of N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine?
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 291.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 65143428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).