2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide

C8H12N4O3S — CID 80715221

IUPAC2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C8H12N4O3S/c9-8-10-3-7(4-11-8)16(13,14)12-6-1-2-15-5-6/h3-4,6,12H,1-2,5H2,(H2,9,10,11)
InChIKeyBQOMJAAYRUJLET-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.87
Rot. Bonds3

About 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide

2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide (PubChem CID 80715221) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide
PubChem CID80715221
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C8H12N4O3S/c9-8-10-3-7(4-11-8)16(13,14)12-6-1-2-15-5-6/h3-4,6,12H,1-2,5H2,(H2,9,10,11)
InChIKeyBQOMJAAYRUJLET-UHFFFAOYSA-N
XLogP-0.87
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-5-sulfonamide
CID 62156639
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
2-amino-N-(2-methylcyclopropyl)pyrimidine-5-sulfonamide
CID 62408267
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147723
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide (CID 80715221) is 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NC2CCOC2)cn1.
What is the InChIKey of 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is BQOMJAAYRUJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-8-10-3-7(4-11-8)16(13,14)12-6-1-2-15-5-6/h3-4,6,12H,1-2,5H2,(H2,9,10,11).
What are the key properties of 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide?
2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 244.28 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 80715221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).