5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

C11H19NO3S2 — CID 115754871

IUPAC5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C11H19NO3S2/c1-4-10-5-6-11(16-10)17(14,15)12-9(3)8(2)7-13/h5-6,8-9,12-13H,4,7H2,1-3H3
InChIKeyHGGNUHPGIPMQTM-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.61
Rot. Bonds6

About 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide

5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 115754871) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID115754871
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C11H19NO3S2/c1-4-10-5-6-11(16-10)17(14,15)12-9(3)8(2)7-13/h5-6,8-9,12-13H,4,7H2,1-3H3
InChIKeyHGGNUHPGIPMQTM-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
CID 62093885
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
N-(3,3-dimethylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 114135429
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide (CID 115754871) is 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC(C)C(C)CO)s1.
What is the InChIKey of 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is HGGNUHPGIPMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-4-10-5-6-11(16-10)17(14,15)12-9(3)8(2)7-13/h5-6,8-9,12-13H,4,7H2,1-3H3.
What are the key properties of 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide?
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 115754871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).