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

C9H17N3O3S2 — CID 54912813

IUPACN-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C9H17N3O3S2/c1-6(12(3)4)5-10-17(14,15)8-7(2)11-9(13)16-8/h6,10H,5H2,1-4H3,(H,11,13)
InChIKeySFWZKDBUSOYKEL-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.03
Rot. Bonds5

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

N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54912813) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54912813
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC NameN-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C)N(C)C
InChIInChI=1S/C9H17N3O3S2/c1-6(12(3)4)5-10-17(14,15)8-7(2)11-9(13)16-8/h6,10H,5H2,1-4H3,(H,11,13)
InChIKeySFWZKDBUSOYKEL-UHFFFAOYSA-N
XLogP-0.03
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724929
4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54955518
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816
N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62092270
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712759

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54912813) is N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SFWZKDBUSOYKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-6(12(3)4)5-10-17(14,15)8-7(2)11-9(13)16-8/h6,10H,5H2,1-4H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54912813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).