N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H16N2O4S2 — CID 113499785

IUPACN-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(C)O
InChIInChI=1S/C9H16N2O4S2/c1-6(12)4-5-11(3)17(14,15)8-7(2)10-9(13)16-8/h6,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyIHTIGNSAHVKTBA-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.14
Rot. Bonds5

About N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 113499785) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID113499785
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC NameN-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(C)O
InChIInChI=1S/C9H16N2O4S2/c1-6(12)4-5-11(3)17(14,15)8-7(2)10-9(13)16-8/h6,12H,4-5H2,1-3H3,(H,10,13)
InChIKeyIHTIGNSAHVKTBA-UHFFFAOYSA-N
XLogP0.14
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 113499785) is N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IHTIGNSAHVKTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-6(12)4-5-11(3)17(14,15)8-7(2)10-9(13)16-8/h6,12H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113499785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).