1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

C15H21NS2 — CID 65135783

IUPAC1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1csc2ccccc12
InChIInChI=1S/C15H21NS2/c1-11(2)8-17-10-13(16)7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,13H,7-8,10,16H2,1-2H3
InChIKeyQLNUOQXCXXHOQC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.16
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135783) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135783
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1csc2ccccc12
InChIInChI=1S/C15H21NS2/c1-11(2)8-17-10-13(16)7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,13H,7-8,10,16H2,1-2H3
InChIKeyQLNUOQXCXXHOQC-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135783) is 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine is CC(C)CSCC(N)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is QLNUOQXCXXHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-11(2)8-17-10-13(16)7-12-9-18-15-6-4-3-5-14(12)15/h3-6,9,11,13H,7-8,10,16H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.16, 6 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-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).