2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

C24H38N6O3S — CID 169377072

IUPAC2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C24H38N6O3S/c1-17-10-12-19(13-11-17)29(16-18(2)31)34(32,33)21-9-5-4-8-20(21)30-23(26)27-22(25)28-24(30)14-6-3-7-15-24/h4-5,8-9,17-19,31H,3,6-7,10-16H2,1-2H3,(H4,25,26,27,28)
InChIKeyGSDCFNRQVWAFRC-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.75
Rot. Bonds6

About 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide

2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 169377072) has the molecular formula C24H38N6O3S and a molecular weight of 490.67 g/mol. Its IUPAC name is 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID169377072
Molecular FormulaC24H38N6O3S
Molecular Weight490.67 g/mol
Exact Mass490.27
IUPAC Name2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C24H38N6O3S/c1-17-10-12-19(13-11-17)29(16-18(2)31)34(32,33)21-9-5-4-8-20(21)30-23(26)27-22(25)28-24(30)14-6-3-7-15-24/h4-5,8-9,17-19,31H,3,6-7,10-16H2,1-2H3,(H4,25,26,27,28)
InChIKeyGSDCFNRQVWAFRC-UHFFFAOYSA-N
XLogP2.75
TPSA137.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(4-hydroxyphenyl)benzenesulfonamide
CID 169376904
2-methylpropyl 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoate
CID 169373936
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 169376691
2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169326125
2-chloro-N'-[2-[2-hydroxypropyl-(4-methylcyclohexyl)sulfamoyl]phenyl]ethanimidamide
CID 169368471
ethyl 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoate
CID 169373608
3-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]pentan-3-ol
CID 169375543
5-(4-acetamidophenyl)-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzenesulfonic acid
CID 169376902
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methoxybenzenesulfonic acid
CID 169376953
2-(5-formylfuran-2-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169334975
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide (CID 169377072) is 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is CC(O)CN(C1CCC(C)CC1)S(=O)(=O)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is GSDCFNRQVWAFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O3S/c1-17-10-12-19(13-11-17)29(16-18(2)31)34(32,33)21-9-5-4-8-20(21)30-23(26)27-22(25)28-24(30)14-6-3-7-15-24/h4-5,8-9,17-19,31H,3,6-7,10-16H2,1-2H3,(H4,25,26,27,28).
What are the key properties of 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 490.67 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 169377072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).