2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

C9H13ClN2OS — CID 60937566

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-6(11)9(13)12(2)5-7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3
InChIKeyHOTJJFYZMDTLET-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (PubChem CID 60937566) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
PubChem CID60937566
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-6(11)9(13)12(2)5-7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3
InChIKeyHOTJJFYZMDTLET-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpropanamide;hydrochloride
CID 119270779
ethyl 2-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-3,3-dimethylbutanoate
CID 116537844
N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048451

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (CID 60937566) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is CC(N)C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The InChIKey is HOTJJFYZMDTLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6(11)9(13)12(2)5-7-3-4-8(10)14-7/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide has a molecular weight of 232.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 60937566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).