sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate

C7H9N2NaO5S2 — CID 174221224

IUPACsodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H10N2O5S2.Na/c1-2-14-6(10)3-5-4-15-7(8-5)9-16(11,12)13;/h4H,2-3H2,1H3,(H,8,9)(H,11,12,13);/q;+1/p-1
InChIKeyBOWDCDWSYXNIQN-UHFFFAOYSA-M
MW288.28 g/mol
LogP-2.88
Rot. Bonds5

About sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate

sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate (PubChem CID 174221224) has the molecular formula C7H9N2NaO5S2 and a molecular weight of 288.28 g/mol. Its IUPAC name is sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate.

Molecular Properties

Compound Namesodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
PubChem CID174221224
Molecular FormulaC7H9N2NaO5S2
Molecular Weight288.28 g/mol
Exact Mass287.99
IUPAC Namesodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H10N2O5S2.Na/c1-2-14-6(10)3-5-4-15-7(8-5)9-16(11,12)13;/h4H,2-3H2,1H3,(H,8,9)(H,11,12,13);/q;+1/p-1
InChIKeyBOWDCDWSYXNIQN-UHFFFAOYSA-M
XLogP-2.88
TPSA108.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475

Frequently Asked Questions

What is the IUPAC name of sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate?
The IUPAC name of sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate (CID 174221224) is sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate.
What is the SMILES notation for sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate?
The canonical SMILES for sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate is CCOC(=O)Cc1csc(NS(=O)(=O)[O-])n1.[Na+].
What is the InChIKey of sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate?
The InChIKey is BOWDCDWSYXNIQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O5S2.Na/c1-2-14-6(10)3-5-4-15-7(8-5)9-16(11,12)13;/h4H,2-3H2,1H3,(H,8,9)(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate?
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate has a molecular weight of 288.28 g/mol, XLogP of -2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate is sourced from PubChem (CID 174221224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).