ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate

C8H12N4O4S — CID 114461535

IUPACethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc(N)cn1
InChIInChI=1S/C8H12N4O4S/c1-2-16-8(13)12-17(14,15)11-7-4-3-6(9)5-10-7/h3-5H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyXNTCGWHNTCLBNY-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.07
Rot. Bonds4

About ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate

ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate (PubChem CID 114461535) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
PubChem CID114461535
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC Nameethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc(N)cn1
InChIInChI=1S/C8H12N4O4S/c1-2-16-8(13)12-17(14,15)11-7-4-3-6(9)5-10-7/h3-5H,2,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyXNTCGWHNTCLBNY-UHFFFAOYSA-N
XLogP0.07
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(pyridin-3-yl)carbamate
CID 235275
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
Ethyl pyridin-2-ylcarbamate
CID 235153
tert-butyl N-(5-aminopyridin-2-yl)carbamate
CID 22064440
ethyl N-(2-nitropyridin-3-yl)carbamate
CID 2835550
Carbamic acid, N-((tert-pentylamino)(3-pyridylamino)methylene)-, ethyl ester
CID 48880
2-[(6-Aminopyridin-3-yl)(methyl)amino]ethan-1-ol
CID 28477444
N5-(2-methoxyethyl)-N5-methylpyridine-2,5-diamine
CID 61427416
N-(2-aminopyridin-3-yl)acetamide
CID 15171503
ethyl N-[5-(benzylideneamino)pyridin-2-yl]carbamate
CID 334659
ethyl N-(2-amino-4-pyridinyl)carbamate
CID 44350851
N-(6-acetamido-3-pyridinyl)acetamide
CID 130005129

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate (CID 114461535) is ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1ccc(N)cn1.
What is the InChIKey of ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate?
The InChIKey is XNTCGWHNTCLBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-2-16-8(13)12-17(14,15)11-7-4-3-6(9)5-10-7/h3-5H,2,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate?
ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate has a molecular weight of 260.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).