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

C7H12N2O3S2 — CID 137453211

IUPAC2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H12N2O3S2/c1-7(2,10)6-9-4-5(13-6)14(11,12)8-3/h4,8,10H,1-3H3
InChIKeyANRDUPRGOWSADX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.28
Rot. Bonds3

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

2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 137453211) has the molecular formula C7H12N2O3S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID137453211
Molecular FormulaC7H12N2O3S2
Molecular Weight236.32 g/mol
Exact Mass236.03
IUPAC Name2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H12N2O3S2/c1-7(2,10)6-9-4-5(13-6)14(11,12)8-3/h4,8,10H,1-3H3
InChIKeyANRDUPRGOWSADX-UHFFFAOYSA-N
XLogP0.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide (CID 137453211) is 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide is CNS(=O)(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ANRDUPRGOWSADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2/c1-7(2,10)6-9-4-5(13-6)14(11,12)8-3/h4,8,10H,1-3H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide?
2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 137453211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).