1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide

C8H12ClNO2S2 — CID 63664720

IUPAC1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
SMILESCC(c1cccs1)N(C)S(=O)(=O)CCl
InChIInChI=1S/C8H12ClNO2S2/c1-7(8-4-3-5-13-8)10(2)14(11,12)6-9/h3-5,7H,6H2,1-2H3
InChIKeyQSASZQKYQKTIAR-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.27
Rot. Bonds4

About 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide

1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide (PubChem CID 63664720) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
PubChem CID63664720
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
SMILESCC(c1cccs1)N(C)S(=O)(=O)CCl
InChIInChI=1S/C8H12ClNO2S2/c1-7(8-4-3-5-13-8)10(2)14(11,12)6-9/h3-5,7H,6H2,1-2H3
InChIKeyQSASZQKYQKTIAR-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47129065
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
N-methyl-N-(1-thiophen-2-ylethyl)formamide
CID 64990731
N,4-dimethyl-2-oxo-N-(1-thiophen-2-ylethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60724800
2-thiophen-2-ylpropane-1-sulfonyl chloride
CID 83642993
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 63666886
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
CID 166432017
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
CID 56751582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide (CID 63664720) is 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide is CC(c1cccs1)N(C)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The InChIKey is QSASZQKYQKTIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-7(8-4-3-5-13-8)10(2)14(11,12)6-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide?
1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 63664720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).