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

C8H13N3O3S2 — CID 43597712

IUPACN-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H13N3O3S2/c1-4-7(15-8(12)10-4)16(13,14)11-6-2-5(9)3-6/h5-6,11H,2-3,9H2,1H3,(H,10,12)
InChIKeyXXYORKJMDCLQBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.49
Rot. Bonds3

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

N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43597712) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43597712
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC NameN-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H13N3O3S2/c1-4-7(15-8(12)10-4)16(13,14)11-6-2-5(9)3-6/h5-6,11H,2-3,9H2,1H3,(H,10,12)
InChIKeyXXYORKJMDCLQBV-UHFFFAOYSA-N
XLogP-0.49
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43597712) is N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XXYORKJMDCLQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-4-7(15-8(12)10-4)16(13,14)11-6-2-5(9)3-6/h5-6,11H,2-3,9H2,1H3,(H,10,12).
What are the key properties of N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 263.34 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).