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

C10H13Cl2NS — CID 79167926

IUPAC2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
SMILESCCC(NCC(Cl)=CCl)c1cccs1
InChIInChI=1S/C10H13Cl2NS/c1-2-9(10-4-3-5-14-10)13-7-8(12)6-11/h3-6,9,13H,2,7H2,1H3
InChIKeyNCWPLXIBDUZNFI-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.11
Rot. Bonds5

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

2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine (PubChem CID 79167926) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
PubChem CID79167926
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
SMILESCCC(NCC(Cl)=CCl)c1cccs1
InChIInChI=1S/C10H13Cl2NS/c1-2-9(10-4-3-5-14-10)13-7-8(12)6-11/h3-6,9,13H,2,7H2,1H3
InChIKeyNCWPLXIBDUZNFI-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
CID 79167749
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine (CID 79167926) is 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine is CCC(NCC(Cl)=CCl)c1cccs1.
What is the InChIKey of 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine?
The InChIKey is NCWPLXIBDUZNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c1-2-9(10-4-3-5-14-10)13-7-8(12)6-11/h3-6,9,13H,2,7H2,1H3.
What are the key properties of 2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine?
2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine has a molecular weight of 250.19 g/mol, XLogP of 4.11, 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-2-ylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79167926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).