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

C9H13ClN2OS — CID 27073639

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCN(CCC(N)=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-12(5-4-9(11)13)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H2,11,13)
InChIKeyBBLHXPWKBNFXSU-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.71
Rot. Bonds5

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

3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (PubChem CID 27073639) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
PubChem CID27073639
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
SMILESCN(CCC(N)=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-12(5-4-9(11)13)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H2,11,13)
InChIKeyBBLHXPWKBNFXSU-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.71
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]propanamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide (CID 27073639) is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide is CN(CCC(N)=O)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
The InChIKey is BBLHXPWKBNFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-12(5-4-9(11)13)6-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H2,11,13).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide?
3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide has a molecular weight of 232.74 g/mol, XLogP of 1.71, 5 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]propanamide is sourced from PubChem (CID 27073639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).