N,N-diethyl-1-benzothiophen-6-amine

C12H15NS — CID 19803746

IUPACN,N-diethyl-1-benzothiophen-6-amine
SMILESCCN(CC)c1ccc2ccsc2c1
InChIInChI=1S/C12H15NS/c1-3-13(4-2)11-6-5-10-7-8-14-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKeySWBYIIKPXMMMOV-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.75
Rot. Bonds3

About N,N-diethyl-1-benzothiophen-6-amine

N,N-diethyl-1-benzothiophen-6-amine (PubChem CID 19803746) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N,N-diethyl-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN,N-diethyl-1-benzothiophen-6-amine
PubChem CID19803746
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN,N-diethyl-1-benzothiophen-6-amine
SMILESCCN(CC)c1ccc2ccsc2c1
InChIInChI=1S/C12H15NS/c1-3-13(4-2)11-6-5-10-7-8-14-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKeySWBYIIKPXMMMOV-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
CID 12965114
1-Benzothiophen-6-amine
CID 220591
Morpholine, 4-benzo[b]thien-3-yl-
CID 12190199
4-methyl-N-[(thiophen-2-yl)methyl]aniline
CID 914053
1-(Benzo[b]thiophen-4-yl)piperazine
CID 21073187
1-(1-Benzothiophen-4-yl)piperazine hydrochloride
CID 57482541
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 24016402
1-Benzothiophen-6-amine hydrochloride
CID 90285249
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613
2-[4-(Dimethylamino)phenyl]-1-benzothiophene-3-carbonitrile
CID 46228108

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-benzothiophen-6-amine?
The IUPAC name of N,N-diethyl-1-benzothiophen-6-amine (CID 19803746) is N,N-diethyl-1-benzothiophen-6-amine.
What is the SMILES notation for N,N-diethyl-1-benzothiophen-6-amine?
The canonical SMILES for N,N-diethyl-1-benzothiophen-6-amine is CCN(CC)c1ccc2ccsc2c1.
What is the InChIKey of N,N-diethyl-1-benzothiophen-6-amine?
The InChIKey is SWBYIIKPXMMMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-13(4-2)11-6-5-10-7-8-14-12(10)9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-benzothiophen-6-amine?
N,N-diethyl-1-benzothiophen-6-amine has a molecular weight of 205.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-benzothiophen-6-amine is sourced from PubChem (CID 19803746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).