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

C9H16N2O3S3 — CID 113499307

IUPACN-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O3S3/c1-4-15-5-6(2)11-17(13,14)8-7(3)10-9(12)16-8/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyPOFNPNMQWSRNMO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.16
Rot. Bonds6

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

N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 113499307) has the molecular formula C9H16N2O3S3 and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID113499307
Molecular FormulaC9H16N2O3S3
Molecular Weight296.44 g/mol
Exact Mass296.03
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O3S3/c1-4-15-5-6(2)11-17(13,14)8-7(3)10-9(12)16-8/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyPOFNPNMQWSRNMO-UHFFFAOYSA-N
XLogP1.16
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62092270
4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54955518
N-(4-methoxybutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 64605729
N-(1-aminobutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65193791
N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 61275381
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54913578
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
CID 61141173
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724929
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 93263803

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 113499307) is N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCSCC(C)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is POFNPNMQWSRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S3/c1-4-15-5-6(2)11-17(13,14)8-7(3)10-9(12)16-8/h6,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113499307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).