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

C10H16N2O3S2 — CID 102794960

IUPACN-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)CC2CC(O)C2)s1
InChIInChI=1S/C10H16N2O3S2/c1-7-11-5-10(16-7)17(14,15)12(2)6-8-3-9(13)4-8/h5,8-9,13H,3-4,6H2,1-2H3
InChIKeyLCVYRRNPHRFEMK-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.84
Rot. Bonds4

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

N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 102794960) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID102794960
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)CC2CC(O)C2)s1
InChIInChI=1S/C10H16N2O3S2/c1-7-11-5-10(16-7)17(14,15)12(2)6-8-3-9(13)4-8/h5,8-9,13H,3-4,6H2,1-2H3
InChIKeyLCVYRRNPHRFEMK-UHFFFAOYSA-N
XLogP0.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (CID 102794960) is N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(C)CC2CC(O)C2)s1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is LCVYRRNPHRFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7-11-5-10(16-7)17(14,15)12(2)6-8-3-9(13)4-8/h5,8-9,13H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 102794960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).