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

C8H11N3O3S2 — CID 62092270

IUPACN-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H11N3O3S2/c1-5(3-4-9)11-16(13,14)7-6(2)10-8(12)15-7/h5,11H,3H2,1-2H3,(H,10,12)
InChIKeyLRYMDVZHUOATRT-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.33
Rot. Bonds4

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

N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 62092270) has the molecular formula C8H11N3O3S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID62092270
Molecular FormulaC8H11N3O3S2
Molecular Weight261.33 g/mol
Exact Mass261.02
IUPAC NameN-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC#N
InChIInChI=1S/C8H11N3O3S2/c1-5(3-4-9)11-16(13,14)7-6(2)10-8(12)15-7/h5,11H,3H2,1-2H3,(H,10,12)
InChIKeyLRYMDVZHUOATRT-UHFFFAOYSA-N
XLogP0.33
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 62092270) is N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is LRYMDVZHUOATRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S2/c1-5(3-4-9)11-16(13,14)7-6(2)10-8(12)15-7/h5,11H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 261.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62092270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).