3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide

C13H19ClN2OS — CID 51077583

IUPAC3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
SMILESCCN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(9-11-5-6-12(14)18-11)8-7-13(17)15-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyDLUVAAYRSIYZGE-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.89
Rot. Bonds7

About 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide

3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide (PubChem CID 51077583) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
PubChem CID51077583
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
SMILESCCN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(9-11-5-6-12(14)18-11)8-7-13(17)15-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyDLUVAAYRSIYZGE-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide (CID 51077583) is 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide is CCN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide?
The InChIKey is DLUVAAYRSIYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-16(9-11-5-6-12(14)18-11)8-7-13(17)15-10-3-4-10/h5-6,10H,2-4,7-9H2,1H3,(H,15,17).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide?
3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide has a molecular weight of 286.83 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 51077583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).