2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide

C8H13N3O2S2 — CID 51106894

IUPAC2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCC2)s1
InChIInChI=1S/C8H13N3O2S2/c9-15(12,13)7-5-11-8(14-7)10-4-6-2-1-3-6/h5-6H,1-4H2,(H,10,11)(H2,9,12,13)
InChIKeyMBLHBWPXDXZSJO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide

2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 51106894) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide
PubChem CID51106894
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2CCC2)s1
InChIInChI=1S/C8H13N3O2S2/c9-15(12,13)7-5-11-8(14-7)10-4-6-2-1-3-6/h5-6H,1-4H2,(H,10,11)(H2,9,12,13)
InChIKeyMBLHBWPXDXZSJO-UHFFFAOYSA-N
XLogP1.00
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide (CID 51106894) is 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2CCC2)s1.
What is the InChIKey of 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is MBLHBWPXDXZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c9-15(12,13)7-5-11-8(14-7)10-4-6-2-1-3-6/h5-6H,1-4H2,(H,10,11)(H2,9,12,13).
What are the key properties of 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide?
2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 51106894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).