2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine

C10H13Cl2NS — CID 79168411

IUPAC2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
SMILESCC(Cc1ccsc1)NCC(Cl)=CCl
InChIInChI=1S/C10H13Cl2NS/c1-8(13-6-10(12)5-11)4-9-2-3-14-7-9/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyJHYNETDODAJSPW-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.59
Rot. Bonds5

About 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine

2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine (PubChem CID 79168411) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
PubChem CID79168411
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
SMILESCC(Cc1ccsc1)NCC(Cl)=CCl
InChIInChI=1S/C10H13Cl2NS/c1-8(13-6-10(12)5-11)4-9-2-3-14-7-9/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyJHYNETDODAJSPW-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
CID 97229162
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953236
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine (CID 79168411) is 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine is CC(Cc1ccsc1)NCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine?
The InChIKey is JHYNETDODAJSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c1-8(13-6-10(12)5-11)4-9-2-3-14-7-9/h2-3,5,7-8,13H,4,6H2,1H3.
What are the key properties of 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine?
2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine has a molecular weight of 250.19 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79168411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).