1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol

C10H14ClNOS — CID 112509961

IUPAC1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-2-6-12-7-5-8(13)9-3-4-10(11)14-9/h2-4,8,12-13H,1,5-7H2
InChIKeyLJLGXLSBVHCVHJ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.60
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol

1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol (PubChem CID 112509961) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
PubChem CID112509961
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-2-6-12-7-5-8(13)9-3-4-10(11)14-9/h2-4,8,12-13H,1,5-7H2
InChIKeyLJLGXLSBVHCVHJ-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(4-chlorophenyl)-3-(prop-2-enylamino)propan-1-ol
CID 112509934
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol (CID 112509961) is 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol is C=CCNCCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol?
The InChIKey is LJLGXLSBVHCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-2-6-12-7-5-8(13)9-3-4-10(11)14-9/h2-4,8,12-13H,1,5-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol?
1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol has a molecular weight of 231.75 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 112509961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).