N-(1,3-thiazol-2-yl)sulfamate

C3H3N2O3S2- — CID 59847899

IUPACN-(1,3-thiazol-2-yl)sulfamate
SMILESO=S(=O)([O-])Nc1nccs1
InChIInChI=1S/C3H4N2O3S2/c6-10(7,8)5-3-4-1-2-9-3/h1-2H,(H,4,5)(H,6,7,8)/p-1
InChIKeyKBYLLOKASXNZIL-UHFFFAOYSA-M
MW179.20 g/mol
LogP0.02
Rot. Bonds2

About N-(1,3-thiazol-2-yl)sulfamate

N-(1,3-thiazol-2-yl)sulfamate (PubChem CID 59847899) has the molecular formula C3H3N2O3S2- and a molecular weight of 179.20 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)sulfamate.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)sulfamate
PubChem CID59847899
Molecular FormulaC3H3N2O3S2-
Molecular Weight179.20 g/mol
Exact Mass178.96
IUPAC NameN-(1,3-thiazol-2-yl)sulfamate
SMILESO=S(=O)([O-])Nc1nccs1
InChIInChI=1S/C3H4N2O3S2/c6-10(7,8)5-3-4-1-2-9-3/h1-2H,(H,4,5)(H,6,7,8)/p-1
InChIKeyKBYLLOKASXNZIL-UHFFFAOYSA-M
XLogP0.02
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 79588617
N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 89126853
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
CID 91956225
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
1-(methylamino)-N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 106031789
4-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59216632
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)sulfamate?
The IUPAC name of N-(1,3-thiazol-2-yl)sulfamate (CID 59847899) is N-(1,3-thiazol-2-yl)sulfamate.
What is the SMILES notation for N-(1,3-thiazol-2-yl)sulfamate?
The canonical SMILES for N-(1,3-thiazol-2-yl)sulfamate is O=S(=O)([O-])Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)sulfamate?
The InChIKey is KBYLLOKASXNZIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O3S2/c6-10(7,8)5-3-4-1-2-9-3/h1-2H,(H,4,5)(H,6,7,8)/p-1.
What are the key properties of N-(1,3-thiazol-2-yl)sulfamate?
N-(1,3-thiazol-2-yl)sulfamate has a molecular weight of 179.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)sulfamate is sourced from PubChem (CID 59847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).