[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide

C15H22N6O2S — CID 169374573

IUPAC[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide
SMILESNC1=NC2(CCCCC2)N(c2cccc(CS(N)(=O)=O)c2)C(N)=N1
InChIInChI=1S/C15H22N6O2S/c16-13-19-14(17)21(15(20-13)7-2-1-3-8-15)12-6-4-5-11(9-12)10-24(18,22)23/h4-6,9H,1-3,7-8,10H2,(H2,18,22,23)(H4,16,17,19,20)
InChIKeyZPUDJIGTXWEMKP-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.58
Rot. Bonds3

About [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide

[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide (PubChem CID 169374573) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide
PubChem CID169374573
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide
SMILESNC1=NC2(CCCCC2)N(c2cccc(CS(N)(=O)=O)c2)C(N)=N1
InChIInChI=1S/C15H22N6O2S/c16-13-19-14(17)21(15(20-13)7-2-1-3-8-15)12-6-4-5-11(9-12)10-24(18,22)23/h4-6,9H,1-3,7-8,10H2,(H2,18,22,23)(H4,16,17,19,20)
InChIKeyZPUDJIGTXWEMKP-UHFFFAOYSA-N
XLogP0.58
TPSA140.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(methylaminomethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373682
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
4-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 169377651
5-[3-(2-ethyltetrazol-5-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374248
5-[3-(3-phenylpropoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374590
[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol
CID 169376265
N-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-3-phenylpropanamide
CID 169374580
azepan-1-yl-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanone
CID 169374664
5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378203
5-(3-butoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374690
5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374677
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide?
The IUPAC name of [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide (CID 169374573) is [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide is NC1=NC2(CCCCC2)N(c2cccc(CS(N)(=O)=O)c2)C(N)=N1.
What is the InChIKey of [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide?
The InChIKey is ZPUDJIGTXWEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c16-13-19-14(17)21(15(20-13)7-2-1-3-8-15)12-6-4-5-11(9-12)10-24(18,22)23/h4-6,9H,1-3,7-8,10H2,(H2,18,22,23)(H4,16,17,19,20).
What are the key properties of [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide?
[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 169374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).