5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide

C12H21NO3S2 — CID 54947843

IUPAC5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C12H21NO3S2/c1-4-11-6-7-12(17-11)18(15,16)13(10(2)3)8-5-9-14/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyDFXAOBIINOOROF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds7

About 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide

5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 54947843) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID54947843
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCO)C(C)C)s1
InChIInChI=1S/C12H21NO3S2/c1-4-11-6-7-12(17-11)18(15,16)13(10(2)3)8-5-9-14/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyDFXAOBIINOOROF-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
N-(2-bromoethyl)-5-ethyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 80675259
5-ethyl-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 60530858
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 62637176
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 54916342
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
CID 60952459

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide (CID 54947843) is 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(CCCO)C(C)C)s1.
What is the InChIKey of 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is DFXAOBIINOOROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-4-11-6-7-12(17-11)18(15,16)13(10(2)3)8-5-9-14/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide?
5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 54947843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).