5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide

C12H21NO3S2 — CID 83147123

IUPAC5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CO)s1)C(C)(C)C
InChIInChI=1S/C12H21NO3S2/c1-9(12(2,3)4)7-13-18(15,16)11-6-5-10(8-14)17-11/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyPMOICLBUJWACIX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.20
Rot. Bonds5

About 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide

5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide (PubChem CID 83147123) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
PubChem CID83147123
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CO)s1)C(C)(C)C
InChIInChI=1S/C12H21NO3S2/c1-9(12(2,3)4)7-13-18(15,16)11-6-5-10(8-14)17-11/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyPMOICLBUJWACIX-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 114135429
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide (CID 83147123) is 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide is CC(CNS(=O)(=O)c1ccc(CO)s1)C(C)(C)C.
What is the InChIKey of 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The InChIKey is PMOICLBUJWACIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-9(12(2,3)4)7-13-18(15,16)11-6-5-10(8-14)17-11/h5-6,9,13-14H,7-8H2,1-4H3.
What are the key properties of 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 83147123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).