4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide

C11H16ClNO2S2 — CID 75426507

IUPAC4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-13(2)11(14)4-3-7-17(15)8-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyIQWZODIJXCCMIL-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.52
Rot. Bonds6

About 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide

4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide (PubChem CID 75426507) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide
PubChem CID75426507
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-13(2)11(14)4-3-7-17(15)8-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyIQWZODIJXCCMIL-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
2-acetamido-3-[(5-chlorothiophen-2-yl)methylsulfinyl]propanoic acid
CID 107768751
2-[(5-chlorothiophen-2-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355772
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61440000
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine
CID 81198204
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine
CID 81188028

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide (CID 75426507) is 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide?
The InChIKey is IQWZODIJXCCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-13(2)11(14)4-3-7-17(15)8-9-5-6-10(12)16-9/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide?
4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide has a molecular weight of 293.84 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methylsulfinyl]-N,N-dimethylbutanamide is sourced from PubChem (CID 75426507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).