1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine

C9H12ClNS — CID 105005210

IUPAC1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-6(2)9(11-3)7-4-5-8(10)12-7/h4-5,9,11H,1H2,2-3H3
InChIKeyXLEHHPGPBVTXFP-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.24
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine

1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005210) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005210
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-6(2)9(11-3)7-4-5-8(10)12-7/h4-5,9,11H,1H2,2-3H3
InChIKeyXLEHHPGPBVTXFP-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 166678249
(5-chlorothiophen-2-yl)-(methylamino)methanethiol
CID 116954482
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
CID 115845349
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 130594674

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine (CID 105005210) is 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is XLEHHPGPBVTXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-6(2)9(11-3)7-4-5-8(10)12-7/h4-5,9,11H,1H2,2-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).