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

C12H17ClN2OS — CID 51077584

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
SMILESCN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)7-6-12(16)14-9-2-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyPTCQGBYFGOIPCV-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.50
Rot. Bonds6

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

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide (PubChem CID 51077584) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
PubChem CID51077584
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
SMILESCN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)7-6-12(16)14-9-2-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyPTCQGBYFGOIPCV-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.50
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-methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide (CID 51077584) is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide is CN(CCC(=O)NC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide?
The InChIKey is PTCQGBYFGOIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)7-6-12(16)14-9-2-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide?
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide has a molecular weight of 272.80 g/mol, XLogP of 2.50, 6 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-methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 51077584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).