4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride

C12H16ClNO3S2 — CID 79357188

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCC1(C)C(NC(=O)c2csc(S(=O)(=O)Cl)c2)C1(C)C
InChIInChI=1S/C12H16ClNO3S2/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(18-6-7)19(13,16)17/h5-6,10H,1-4H3,(H,14,15)
InChIKeyITDDYUHCGBPIAV-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.84
Rot. Bonds3

About 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 79357188) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
PubChem CID79357188
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCC1(C)C(NC(=O)c2csc(S(=O)(=O)Cl)c2)C1(C)C
InChIInChI=1S/C12H16ClNO3S2/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(18-6-7)19(13,16)17/h5-6,10H,1-4H3,(H,14,15)
InChIKeyITDDYUHCGBPIAV-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
CID 79693424
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 79363220
methyl 5-chlorosulfonylthiophene-3-carboxylate
CID 43414198
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride (CID 79357188) is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride is CC1(C)C(NC(=O)c2csc(S(=O)(=O)Cl)c2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is ITDDYUHCGBPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c1-11(2)10(12(11,3)4)14-9(15)7-5-8(18-6-7)19(13,16)17/h5-6,10H,1-4H3,(H,14,15).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride?
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 321.85 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79357188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).