(1R)-1-(1-benzothiophen-5-yl)propan-1-amine

C11H13NS — CID 130635680

IUPAC(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
SMILESCC[C@@H](N)c1ccc2sccc2c1
InChIInChI=1S/C11H13NS/c1-2-10(12)8-3-4-11-9(7-8)5-6-13-11/h3-7,10H,2,12H2,1H3/t10-/m1/s1
InChIKeyWTXHFMCJYGHLIL-SNVBAGLBSA-N
MW191.30 g/mol
LogP3.31
Rot. Bonds2

About (1R)-1-(1-benzothiophen-5-yl)propan-1-amine

(1R)-1-(1-benzothiophen-5-yl)propan-1-amine (PubChem CID 130635680) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (1R)-1-(1-benzothiophen-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
PubChem CID130635680
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
SMILESCC[C@@H](N)c1ccc2sccc2c1
InChIInChI=1S/C11H13NS/c1-2-10(12)8-3-4-11-9(7-8)5-6-13-11/h3-7,10H,2,12H2,1H3/t10-/m1/s1
InChIKeyWTXHFMCJYGHLIL-SNVBAGLBSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
CID 65474156
dimethyl 2-(1-benzothiophen-5-yl)propanedioate
CID 166823903
1-(1-benzothiophen-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820018
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
2-(1-benzothiophen-5-yl)-2-bromoacetaldehyde
CID 87677672
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
1-(1-benzothiophen-5-yl)but-3-en-1-ol
CID 130892568
1-(1-benzothiophen-5-yl)-1-chloro-N-methylpropan-2-amine
CID 168763965
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
5-(ethoxymethyl)-1-benzothiophene
CID 102099380

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzothiophen-5-yl)propan-1-amine?
The IUPAC name of (1R)-1-(1-benzothiophen-5-yl)propan-1-amine (CID 130635680) is (1R)-1-(1-benzothiophen-5-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(1-benzothiophen-5-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(1-benzothiophen-5-yl)propan-1-amine is CC[C@@H](N)c1ccc2sccc2c1.
What is the InChIKey of (1R)-1-(1-benzothiophen-5-yl)propan-1-amine?
The InChIKey is WTXHFMCJYGHLIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-10(12)8-3-4-11-9(7-8)5-6-13-11/h3-7,10H,2,12H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(1-benzothiophen-5-yl)propan-1-amine?
(1R)-1-(1-benzothiophen-5-yl)propan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzothiophen-5-yl)propan-1-amine is sourced from PubChem (CID 130635680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).