5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride

C11H16ClNO3S2 — CID 43173395

IUPAC5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)CCC(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-8(2)3-5-10(14)13-7-9-4-6-11(17-9)18(12,15)16/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyCBHVIXIXLMFATI-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.73
Rot. Bonds6

About 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride

5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 43173395) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID43173395
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)CCC(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H16ClNO3S2/c1-8(2)3-5-10(14)13-7-9-4-6-11(17-9)18(12,15)16/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyCBHVIXIXLMFATI-UHFFFAOYSA-N
XLogP2.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(octanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173393
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095
5-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 65204805
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65396098
5-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 102801420
5-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362975
5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride
CID 63687488
5-[(pyridine-3-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173405
3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 62714959

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride (CID 43173395) is 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride is CC(C)CCC(=O)NCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is CBHVIXIXLMFATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-8(2)3-5-10(14)13-7-9-4-6-11(17-9)18(12,15)16/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 309.84 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43173395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).