1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one

C9H12ClNOS — CID 62053436

IUPAC1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3
InChIKeyJNDLGTSNYRSGHX-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.42
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one

1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one (PubChem CID 62053436) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
PubChem CID62053436
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3
InChIKeyJNDLGTSNYRSGHX-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-oxobutanenitrile
CID 117038458
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 34093228
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one (CID 62053436) is 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one is CC(=O)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one?
The InChIKey is JNDLGTSNYRSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-7(12)5-11(2)6-8-3-4-9(10)13-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one?
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one has a molecular weight of 217.72 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one is sourced from PubChem (CID 62053436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).