1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

C18H19NS2 — CID 66097364

IUPAC1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1csc2ccccc12
InChIInChI=1S/C18H19NS2/c1-13-6-2-4-8-17(13)21-12-15(19)10-14-11-20-18-9-5-3-7-16(14)18/h2-9,11,15H,10,12,19H2,1H3
InChIKeyNTVBEKDYJIMNOR-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.87
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine

1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66097364) has the molecular formula C18H19NS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66097364
Molecular FormulaC18H19NS2
Molecular Weight313.49 g/mol
Exact Mass313.10
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1csc2ccccc12
InChIInChI=1S/C18H19NS2/c1-13-6-2-4-8-17(13)21-12-15(19)10-14-11-20-18-9-5-3-7-16(14)18/h2-9,11,15H,10,12,19H2,1H3
InChIKeyNTVBEKDYJIMNOR-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098425
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 112836932
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66097364) is 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is NTVBEKDYJIMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS2/c1-13-6-2-4-8-17(13)21-12-15(19)10-14-11-20-18-9-5-3-7-16(14)18/h2-9,11,15H,10,12,19H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 313.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66097364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).