5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide

C12H21NO3S2 — CID 114135437

IUPAC5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C12H21NO3S2/c1-5-6-12(3,4)13-18(15,16)11-7-9(2)10(8-14)17-11/h7,13-14H,5-6,8H2,1-4H3
InChIKeyDTDLQDRWDQQIFD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.41
Rot. Bonds6

About 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide

5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 114135437) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID114135437
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C12H21NO3S2/c1-5-6-12(3,4)13-18(15,16)11-7-9(2)10(8-14)17-11/h7,13-14H,5-6,8H2,1-4H3
InChIKeyDTDLQDRWDQQIFD-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106080757
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
5-(hydroxymethyl)-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283893
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-2-methylthiophene-3-carboxamide
CID 67218749

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide (CID 114135437) is 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide is CCCC(C)(C)NS(=O)(=O)c1cc(C)c(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is DTDLQDRWDQQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-5-6-12(3,4)13-18(15,16)11-7-9(2)10(8-14)17-11/h7,13-14H,5-6,8H2,1-4H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114135437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).