3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide

C10H15NO4S2 — CID 19434035

IUPAC3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1sccc1C1OCCO1
InChIInChI=1S/C10H15NO4S2/c1-7(2)11-17(12,13)10-8(3-6-16-10)9-14-4-5-15-9/h3,6-7,9,11H,4-5H2,1-2H3
InChIKeyYHUJHHQDZQDZOW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.48
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide

3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 19434035) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID19434035
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1sccc1C1OCCO1
InChIInChI=1S/C10H15NO4S2/c1-7(2)11-17(12,13)10-8(3-6-16-10)9-14-4-5-15-9/h3,6-7,9,11H,4-5H2,1-2H3
InChIKeyYHUJHHQDZQDZOW-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dioxolan-2-yl)thiophene-2-sulfonic acid
CID 87472470
3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide
CID 19434018
1-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-(4-methoxy-6-methyl-1H-triazin-2-yl)urea
CID 70353868
7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
CID 136561853
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
2-[(3-cyclopropylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid
CID 166263601
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
3-cyclopropyl-N-[2-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 166265972
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide (CID 19434035) is 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide is CC(C)NS(=O)(=O)c1sccc1C1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is YHUJHHQDZQDZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-7(2)11-17(12,13)10-8(3-6-16-10)9-14-4-5-15-9/h3,6-7,9,11H,4-5H2,1-2H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide?
3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 19434035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).