N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine

C15H19NS2 — CID 65143801

IUPACN-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS2/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyNMCBQFLGOLFFGP-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.06
Rot. Bonds7

About N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine

N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 65143801) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
PubChem CID65143801
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS2/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyNMCBQFLGOLFFGP-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfanyl-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 66143893
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
N-ethyl-1-methoxy-1-phenyl-3-thiophen-3-ylpropan-2-amine
CID 116773126
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine (CID 65143801) is N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine is CCNC(CSc1ccccc1)Cc1ccsc1.
What is the InChIKey of N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is NMCBQFLGOLFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3.
What are the key properties of N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine?
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 65143801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).