5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride

C12H16ClNO3S2 — CID 114102246

IUPAC5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCC1(CNC(=O)c2cc(S(=O)(=O)Cl)c(C)s2)CC1
InChIInChI=1S/C12H16ClNO3S2/c1-3-12(4-5-12)7-14-11(15)9-6-10(8(2)18-9)19(13,16)17/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyHCCJFDVXLSUIRM-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.90
Rot. Bonds5

About 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride

5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride (PubChem CID 114102246) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
PubChem CID114102246
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
SMILESCCC1(CNC(=O)c2cc(S(=O)(=O)Cl)c(C)s2)CC1
InChIInChI=1S/C12H16ClNO3S2/c1-3-12(4-5-12)7-14-11(15)9-6-10(8(2)18-9)19(13,16)17/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyHCCJFDVXLSUIRM-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
2-methyl-5-(3-methylsulfonylpropylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994051
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
CID 106219395
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
CID 107421002
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 115456441
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
2-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994049
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
5-(hexan-3-ylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676753

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The IUPAC name of 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride (CID 114102246) is 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The canonical SMILES for 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride is CCC1(CNC(=O)c2cc(S(=O)(=O)Cl)c(C)s2)CC1.
What is the InChIKey of 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride?
The InChIKey is HCCJFDVXLSUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c1-3-12(4-5-12)7-14-11(15)9-6-10(8(2)18-9)19(13,16)17/h6H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride?
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride has a molecular weight of 321.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride is sourced from PubChem (CID 114102246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).