2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide

C12H20ClNO2S2 — CID 102750346

IUPAC2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3
InChIKeyIRPMAXFBHXHKLU-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.61
Rot. Bonds7

About 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide

2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide (PubChem CID 102750346) has the molecular formula C12H20ClNO2S2 and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
PubChem CID102750346
Molecular FormulaC12H20ClNO2S2
Molecular Weight309.88 g/mol
Exact Mass309.06
IUPAC Name2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3
InChIKeyIRPMAXFBHXHKLU-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.61
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

2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide
CID 102750385
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102750576
2-(chloromethyl)-N-cycloheptyl-N,4-dimethylthiophene-3-sulfonamide
CID 102750438
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102750332
2-[(cyclopropylamino)methyl]-4-methyl-N-propyl-N-prop-2-ynylthiophene-3-sulfonamide
CID 102754543
2-(chloromethyl)-N,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-3-sulfonamide
CID 102750658
2-(chloromethyl)-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-3-sulfonamide
CID 102750411
2-(chloromethyl)-N-(2-fluorophenyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102750548
methyl 4-methyl-3-[propyl(prop-2-ynyl)sulfamoyl]thiophene-2-carboxylate
CID 102749123
2-(chloromethyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 102750644
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102750604
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide (CID 102750346) is 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide is CCCN(CCC)S(=O)(=O)c1c(C)csc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The InChIKey is IRPMAXFBHXHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide has a molecular weight of 309.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide is sourced from PubChem (CID 102750346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).