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

C12H21N3O4S2 — CID 60984258

IUPACN-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H21N3O4S2/c1-9-11(20-12(17)13-9)21(18,19)15(7-8-16)10-3-5-14(2)6-4-10/h10,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyJNPSRZBQCOYVFX-UHFFFAOYSA-N
MW335.45 g/mol
LogP-0.18
Rot. Bonds5

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

N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60984258) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60984258
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H21N3O4S2/c1-9-11(20-12(17)13-9)21(18,19)15(7-8-16)10-3-5-14(2)6-4-10/h10,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyJNPSRZBQCOYVFX-UHFFFAOYSA-N
XLogP-0.18
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60984258) is N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is JNPSRZBQCOYVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-9-11(20-12(17)13-9)21(18,19)15(7-8-16)10-3-5-14(2)6-4-10/h10,16H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 335.45 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60984258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).