5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride

C10H14ClNO3S2 — CID 65368095

IUPAC5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)CNC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-7(2)6-12-9(13)5-8-3-4-10(16-8)17(11,14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyZZXDJLCLXQGBCZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.99
Rot. Bonds5

About 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride

5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride (PubChem CID 65368095) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
PubChem CID65368095
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)CNC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-7(2)6-12-9(13)5-8-3-4-10(16-8)17(11,14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyZZXDJLCLXQGBCZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64723560
5-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65396098
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[2-(3-methylpentan-3-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 106331485
5-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]thiophene-2-sulfonyl chloride
CID 65372931
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 65204805
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
5-[(octanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173393
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride (CID 65368095) is 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride is CC(C)CNC(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride?
The InChIKey is ZZXDJLCLXQGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-7(2)6-12-9(13)5-8-3-4-10(16-8)17(11,14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride?
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride has a molecular weight of 295.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65368095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).