5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride

C13H18ClNO4S2 — CID 65157400

IUPAC5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(CCC1CCCO1)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C13H18ClNO4S2/c14-21(17,18)13-6-4-11(20-13)7-8-15-12(16)5-3-10-2-1-9-19-10/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyADGDHMBRQFPCCU-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.29
Rot. Bonds7

About 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride

5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 65157400) has the molecular formula C13H18ClNO4S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID65157400
Molecular FormulaC13H18ClNO4S2
Molecular Weight351.88 g/mol
Exact Mass351.04
IUPAC Name5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(CCC1CCCO1)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C13H18ClNO4S2/c14-21(17,18)13-6-4-11(20-13)7-8-15-12(16)5-3-10-2-1-9-19-10/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyADGDHMBRQFPCCU-UHFFFAOYSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
5-[1-[[2-(oxolan-2-yl)acetyl]amino]ethyl]thiophene-2-sulfonyl chloride
CID 65157446
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
CID 56785183
5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
3-methyl-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157203
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
3-bromo-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157153
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride (CID 65157400) is 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride is O=C(CCC1CCCO1)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is ADGDHMBRQFPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S2/c14-21(17,18)13-6-4-11(20-13)7-8-15-12(16)5-3-10-2-1-9-19-10/h4,6,10H,1-3,5,7-9H2,(H,15,16).
What are the key properties of 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 351.88 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65157400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).