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

C11H18N2O4S2 — CID 63707073

IUPACN,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H18N2O4S2/c1-8-10(18-11(14)12-8)19(15,16)13(2)7-9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyLZMVNDHQBOIXMY-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.79
Rot. Bonds4

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

N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 63707073) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID63707073
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H18N2O4S2/c1-8-10(18-11(14)12-8)19(15,16)13(2)7-9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,12,14)
InChIKeyLZMVNDHQBOIXMY-UHFFFAOYSA-N
XLogP0.79
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-oxo-N-(piperidin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 106630456
N-cyclopropyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60724764
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499785
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716009
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80579973
N-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723953
2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 103171510
N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984802
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 63707073) is N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CC1CCOCC1.
What is the InChIKey of N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is LZMVNDHQBOIXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-8-10(18-11(14)12-8)19(15,16)13(2)7-9-3-5-17-6-4-9/h9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxan-4-ylmethyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63707073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).