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

C10H18N2O3S2 — CID 54884422

IUPACN,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-7(2)6-12(4)17(14,15)9-8(3)11-10(13)16-9/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyMHHOIKRLJDMNDN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds5

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

N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884422) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884422
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-7(2)6-12(4)17(14,15)9-8(3)11-10(13)16-9/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyMHHOIKRLJDMNDN-UHFFFAOYSA-N
XLogP1.41
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884422) is N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(C)CN(C)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MHHOIKRLJDMNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-5-7(2)6-12(4)17(14,15)9-8(3)11-10(13)16-9/h7H,5-6H2,1-4H3,(H,11,13).
What are the key properties of N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).