N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide

C11H19NO3S2 — CID 115756286

IUPACN-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(C)O)c(C)s1
InChIInChI=1S/C11H19NO3S2/c1-8(13)5-6-12(4)17(14,15)11-7-9(2)16-10(11)3/h7-8,13H,5-6H2,1-4H3
InChIKeyDOGMWVLKAQYBDZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.76
Rot. Bonds5

About N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide

N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide (PubChem CID 115756286) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
PubChem CID115756286
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC NameN-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(C)O)c(C)s1
InChIInChI=1S/C11H19NO3S2/c1-8(13)5-6-12(4)17(14,15)11-7-9(2)16-10(11)3/h7-8,13H,5-6H2,1-4H3
InChIKeyDOGMWVLKAQYBDZ-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
CID 55007949
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499785
2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
CID 60828317
N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
CID 78870484
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
N,2,5-trimethyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]thiophene-3-sulfonamide
CID 99635605
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 47020938
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
CID 103052137
N-(3-hydroxybutyl)-4-iodo-N-methylbenzenesulfonamide
CID 113320165
3-amino-5-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzenesulfonamide
CID 116792317
5-(2-aminoethyl)-N-(3-hydroxybutyl)-N-methylthiophene-2-sulfonamide
CID 113499673

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide (CID 115756286) is N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)CCC(C)O)c(C)s1.
What is the InChIKey of N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide?
The InChIKey is DOGMWVLKAQYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-8(13)5-6-12(4)17(14,15)11-7-9(2)16-10(11)3/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide?
N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide is sourced from PubChem (CID 115756286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).