N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide

C9H16N2O3S2 — CID 103847995

IUPACN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N2O3S2/c1-3-8(12)4-5-11-16(13,14)9-6-10-7(2)15-9/h6,8,11-12H,3-5H2,1-2H3
InChIKeyDKFGNCYLYSEVGH-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.89
Rot. Bonds6

About N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847995) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103847995
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H16N2O3S2/c1-3-8(12)4-5-11-16(13,14)9-6-10-7(2)15-9/h6,8,11-12H,3-5H2,1-2H3
InChIKeyDKFGNCYLYSEVGH-UHFFFAOYSA-N
XLogP0.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103847995) is N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide is CCC(O)CCNS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DKFGNCYLYSEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-3-8(12)4-5-11-16(13,14)9-6-10-7(2)15-9/h6,8,11-12H,3-5H2,1-2H3.
What are the key properties of N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).