2-amino-N-octan-4-ylpyrimidine-5-sulfonamide

C12H22N4O2S — CID 106027708

IUPAC2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C12H22N4O2S/c1-3-5-7-10(6-4-2)16-19(17,18)11-8-14-12(13)15-9-11/h8-10,16H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyIXBCUUIHXITURM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.70
Rot. Bonds8

About 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide

2-amino-N-octan-4-ylpyrimidine-5-sulfonamide (PubChem CID 106027708) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
PubChem CID106027708
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C12H22N4O2S/c1-3-5-7-10(6-4-2)16-19(17,18)11-8-14-12(13)15-9-11/h8-10,16H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyIXBCUUIHXITURM-UHFFFAOYSA-N
XLogP1.70
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-octan-4-ylpyridine-3-sulfonamide
CID 106022026
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
N-(1-aminohexan-2-yl)-6-nitropyridine-3-sulfonamide
CID 80696978
3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
CID 106022099
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide (CID 106027708) is 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide?
The InChIKey is IXBCUUIHXITURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-5-7-10(6-4-2)16-19(17,18)11-8-14-12(13)15-9-11/h8-10,16H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide?
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-octan-4-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 106027708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).