N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide

C9H14N2O3S2 — CID 103414866

IUPACN-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CC(O)C2)s1
InChIInChI=1S/C9H14N2O3S2/c1-6-10-5-9(15-6)16(13,14)11-4-7-2-8(12)3-7/h5,7-8,11-12H,2-4H2,1H3
InChIKeyPQQJAAWGHYIIFN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.50
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414866) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414866
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CC(O)C2)s1
InChIInChI=1S/C9H14N2O3S2/c1-6-10-5-9(15-6)16(13,14)11-4-7-2-8(12)3-7/h5,7-8,11-12H,2-4H2,1H3
InChIKeyPQQJAAWGHYIIFN-UHFFFAOYSA-N
XLogP0.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414866) is N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CC(O)C2)s1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PQQJAAWGHYIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-6-10-5-9(15-6)16(13,14)11-4-7-2-8(12)3-7/h5,7-8,11-12H,2-4H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).