4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H17N3O3S2 — CID 106024978

IUPAC4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCN1C
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)11-6-8-4-3-5-13(8)2/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyVCGMMSPKESMMIQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.12
Rot. Bonds4

About 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 106024978) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID106024978
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCN1C
InChIInChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)11-6-8-4-3-5-13(8)2/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyVCGMMSPKESMMIQ-UHFFFAOYSA-N
XLogP0.12
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

5-(3-aminopiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 43605422
5-(2-ethylpyrrolidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 54883996
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884232
4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884277
N,4-dimethyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 54884421
N-butan-2-yl-N-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884471
4-methyl-2-oxo-N-pentyl-N-propan-2-yl-3H-1,3-thiazole-5-sulfonamide
CID 54884472
N-cyclopentyl-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884519
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-methyl-3H-1,3-thiazol-2-one
CID 54884521
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
N-(1-ethylpiperidin-4-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54916945
4-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54949845

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 106024978) is 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCN1C.
What is the InChIKey of 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is VCGMMSPKESMMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-9(17-10(14)12-7)18(15,16)11-6-8-4-3-5-13(8)2/h8,11H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106024978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).