1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea

C8H12N4O3S — CID 116645965

IUPAC1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C8H12N4O3S/c1-2-10-8(13)12-16(14,15)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyFLSNJPXYFAXSOA-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.33
Rot. Bonds3

About 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea

1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea (PubChem CID 116645965) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea
PubChem CID116645965
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C8H12N4O3S/c1-2-10-8(13)12-16(14,15)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H2,9,11)(H2,10,12,13)
InChIKeyFLSNJPXYFAXSOA-UHFFFAOYSA-N
XLogP-0.33
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
CID 116645966
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
6-amino-N-(3-ethyl-2-hydroxypentyl)pyridine-3-sulfonamide
CID 106284185
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
6-amino-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63963985
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 113484660
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea?
The IUPAC name of 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea (CID 116645965) is 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea.
What is the SMILES notation for 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea?
The canonical SMILES for 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea?
The InChIKey is FLSNJPXYFAXSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-2-10-8(13)12-16(14,15)6-3-4-7(9)11-5-6/h3-5H,2H2,1H3,(H2,9,11)(H2,10,12,13).
What are the key properties of 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea?
1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea has a molecular weight of 244.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylurea is sourced from PubChem (CID 116645965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).