4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride

C12H14ClNO3S2 — CID 65396129

IUPAC4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESO=C(c1csc(S(=O)(=O)Cl)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C12H14ClNO3S2/c13-19(16,17)11-5-9(7-18-11)12(15)14(10-3-4-10)6-8-1-2-8/h5,7-8,10H,1-4,6H2
InChIKeyUVAPPWIVICEUFT-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.69
Rot. Bonds5

About 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride

4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 65396129) has the molecular formula C12H14ClNO3S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
PubChem CID65396129
Molecular FormulaC12H14ClNO3S2
Molecular Weight319.84 g/mol
Exact Mass319.01
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESO=C(c1csc(S(=O)(=O)Cl)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C12H14ClNO3S2/c13-19(16,17)11-5-9(7-18-11)12(15)14(10-3-4-10)6-8-1-2-8/h5,7-8,10H,1-4,6H2
InChIKeyUVAPPWIVICEUFT-UHFFFAOYSA-N
XLogP2.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 112734617
3-[cyclopropyl-(5-methylsulfonylthiophene-3-carbonyl)amino]-2-methylpropanoic acid
CID 120689446
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79818975
5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride (CID 65396129) is 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride is O=C(c1csc(S(=O)(=O)Cl)c1)N(CC1CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is UVAPPWIVICEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S2/c13-19(16,17)11-5-9(7-18-11)12(15)14(10-3-4-10)6-8-1-2-8/h5,7-8,10H,1-4,6H2.
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride?
4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 319.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65396129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).