N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine

C11H10ClNS — CID 131233393

IUPACN-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
SMILESCl/C=C/CNc1csc2ccccc12
InChIInChI=1S/C11H10ClNS/c12-6-3-7-13-10-8-14-11-5-2-1-4-9(10)11/h1-6,8,13H,7H2/b6-3+
InChIKeyOEWYCKKHFUMFQL-ZZXKWVIFSA-N
MW223.73 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine

N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine (PubChem CID 131233393) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
PubChem CID131233393
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
SMILESCl/C=C/CNc1csc2ccccc12
InChIInChI=1S/C11H10ClNS/c12-6-3-7-13-10-8-14-11-5-2-1-4-9(10)11/h1-6,8,13H,7H2/b6-3+
InChIKeyOEWYCKKHFUMFQL-ZZXKWVIFSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline
CID 114014037
N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
CID 115251280
4-(1-benzothiophen-3-ylamino)-3,3-dimethylbutanoic acid
CID 115220236
N-(2-piperidin-4-ylethyl)-1-benzothiophen-3-amine
CID 115211557
[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
CID 115248843
3-(1-benzothiophen-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163961
tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
(Z)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-4,4-dimethylpent-2-en-1-amine
CID 70834312
5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
CID 115122593
N-(2-fluorophenyl)-1-benzothiophen-3-amine
CID 45270419

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine (CID 131233393) is N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine is Cl/C=C/CNc1csc2ccccc12.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine?
The InChIKey is OEWYCKKHFUMFQL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-6-3-7-13-10-8-14-11-5-2-1-4-9(10)11/h1-6,8,13H,7H2/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine?
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine has a molecular weight of 223.73 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine is sourced from PubChem (CID 131233393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).