1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine

C9H10ClNS — CID 104995867

IUPAC1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)c1sccc1Cl
InChIInChI=1S/C9H10ClNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3
InChIKeyYHBICELFGIRXNK-UHFFFAOYSA-N
MW199.71 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine

1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine (PubChem CID 104995867) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine
PubChem CID104995867
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)c1sccc1Cl
InChIInChI=1S/C9H10ClNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3
InChIKeyYHBICELFGIRXNK-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
CID 104995685
1-(3-chlorothiophen-2-yl)prop-2-ynylhydrazine
CID 105315480
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine (CID 104995867) is 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine is C#CC(NCC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
The InChIKey is YHBICELFGIRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-3-8(11-4-2)9-7(10)5-6-12-9/h1,5-6,8,11H,4H2,2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine?
1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine has a molecular weight of 199.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 104995867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).