N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide

C11H20N2O3S2 — CID 103847971

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H20N2O3S2/c1-3-4-10(5-6-14)7-13-18(15,16)11-8-12-9(2)17-11/h8,10,13-14H,3-7H2,1-2H3
InChIKeyDSEYZCALHLQNTL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.53
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103847971) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103847971
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C11H20N2O3S2/c1-3-4-10(5-6-14)7-13-18(15,16)11-8-12-9(2)17-11/h8,10,13-14H,3-7H2,1-2H3
InChIKeyDSEYZCALHLQNTL-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
CID 111470620
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
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103847971) is N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide is CCCC(CCO)CNS(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DSEYZCALHLQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-3-4-10(5-6-14)7-13-18(15,16)11-8-12-9(2)17-11/h8,10,13-14H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103847971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).