N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide

C10H18N2O4S2 — CID 54916628

IUPACN-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H18N2O4S2/c1-7(2)12(5-4-6-13)18(15,16)9-8(3)11-10(14)17-9/h7,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyAXIATRJFCCUHRM-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.53
Rot. Bonds6

About N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide

N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54916628) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
PubChem CID54916628
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC NameN-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H18N2O4S2/c1-7(2)12(5-4-6-13)18(15,16)9-8(3)11-10(14)17-9/h7,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyAXIATRJFCCUHRM-UHFFFAOYSA-N
XLogP0.53
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 43574652
N-[3-(dimethylamino)propyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 102995737
N-(3-hydroxybutyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499785
N,4-dimethyl-2-oxo-N-pentan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 60985801
N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984802
N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60983851
N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984258
methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
CID 54949213
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-sulfonamide
CID 54916390
4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60985685
N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54883852

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide (CID 54916628) is N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is AXIATRJFCCUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c1-7(2)12(5-4-6-13)18(15,16)9-8(3)11-10(14)17-9/h7,13H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide?
N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methyl-2-oxo-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).