5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H24ClN5O2S — CID 169375856

IUPAC5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCCCS(=O)(=O)c1ccc(Cl)cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H24ClN5O2S/c1-2-10-26(24,25)14-7-6-12(18)11-13(14)23-16(20)21-15(19)22-17(23)8-4-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3,(H4,19,20,21,22)
InChIKeyPAXHQTGHLUWGGU-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.63
Rot. Bonds4

About 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375856) has the molecular formula C17H24ClN5O2S and a molecular weight of 397.93 g/mol. Its IUPAC name is 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169375856
Molecular FormulaC17H24ClN5O2S
Molecular Weight397.93 g/mol
Exact Mass397.13
IUPAC Name5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCCCS(=O)(=O)c1ccc(Cl)cc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H24ClN5O2S/c1-2-10-26(24,25)14-7-6-12(18)11-13(14)23-16(20)21-15(19)22-17(23)8-4-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3,(H4,19,20,21,22)
InChIKeyPAXHQTGHLUWGGU-UHFFFAOYSA-N
XLogP2.63
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methoxybenzenesulfonic acid
CID 169376953
5-chloro-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-methylbenzamide
CID 169374632
1-[5-chloro-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1-phenylpropan-1-ol
CID 169376657
5-(5-chloro-2-imidazol-1-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378229
3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 169376910
3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-fluorobenzenesulfonic acid
CID 169374980
5-[3-chloro-2-(diethylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375995
7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 169375836
5-[5-chloro-2-(1-phenylethylamino)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374916
5-(4-bromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373845
2-chloro-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzenesulfonic acid
CID 169378350
5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373563

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375856) is 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CCCS(=O)(=O)c1ccc(Cl)cc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is PAXHQTGHLUWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2S/c1-2-10-26(24,25)14-7-6-12(18)11-13(14)23-16(20)21-15(19)22-17(23)8-4-3-5-9-17/h6-7,11H,2-5,8-10H2,1H3,(H4,19,20,21,22).
What are the key properties of 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 397.93 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-propylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).