N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine

C14H19NS2 — CID 81153084

IUPACN-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cccc2ccsc12
InChIInChI=1S/C14H19NS2/c1-3-8-15-13(10-16-2)12-6-4-5-11-7-9-17-14(11)12/h4-7,9,13,15H,3,8,10H2,1-2H3
InChIKeyYDHKJANATPCDHY-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine

N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 81153084) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID81153084
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC NameN-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1cccc2ccsc12
InChIInChI=1S/C14H19NS2/c1-3-8-15-13(10-16-2)12-6-4-5-11-7-9-17-14(11)12/h4-7,9,13,15H,3,8,10H2,1-2H3
InChIKeyYDHKJANATPCDHY-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105172818
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
CID 116718196
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226376
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine (CID 81153084) is N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)c1cccc2ccsc12.
What is the InChIKey of N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is YDHKJANATPCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-3-8-15-13(10-16-2)12-6-4-5-11-7-9-17-14(11)12/h4-7,9,13,15H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 265.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 81153084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).