1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea

C9H14N4O3S — CID 142675963

IUPAC1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1N
InChIInChI=1S/C9H14N4O3S/c1-6(2)12-9(14)13-17(15,16)8-5-11-4-3-7(8)10/h3-6H,1-2H3,(H2,10,11)(H2,12,13,14)
InChIKeyYOEICQUPAFRKGO-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.06
Rot. Bonds3

About 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea

1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea (PubChem CID 142675963) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
PubChem CID142675963
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1N
InChIInChI=1S/C9H14N4O3S/c1-6(2)12-9(14)13-17(15,16)8-5-11-4-3-7(8)10/h3-6H,1-2H3,(H2,10,11)(H2,12,13,14)
InChIKeyYOEICQUPAFRKGO-UHFFFAOYSA-N
XLogP0.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 91248865
4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide
CID 88944337
1-(5-amino-2,3-dimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 116646369
lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
1-(5-amino-4-fluoro-2-methylphenyl)sulfonyl-3-propan-2-ylurea
CID 116646344
methyl 5-amino-2-(propan-2-ylcarbamoylsulfamoyl)benzoate
CID 116646350
1-(3-amino-2,5,6-trimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 106505453
[[4-(3-methylanilino)-3-pyridinyl]-oxo-(propan-2-ylcarbamoylamino)-λ6-sulfanylidene]oxidanium
CID 163731126
3-(2-methylprop-1-enylsulfonyl)pyridin-4-amine
CID 143335351
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea (CID 142675963) is 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea is CC(C)NC(=O)NS(=O)(=O)c1cnccc1N.
What is the InChIKey of 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The InChIKey is YOEICQUPAFRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-6(2)12-9(14)13-17(15,16)8-5-11-4-3-7(8)10/h3-6H,1-2H3,(H2,10,11)(H2,12,13,14).
What are the key properties of 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea has a molecular weight of 258.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 142675963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).