N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide

C12H24N4O2S — CID 124908441

IUPACN-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(C)(=O)=O)NC1
InChIInChI=1S/C12H24N4O2S/c1-9-5-4-6-11(10(9)2)16-7-13-12(14-8-16)15-19(3,17)18/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyOZPLGMFKXGJMJB-OUAUKWLOSA-N
MW288.42 g/mol
LogP0.54
Rot. Bonds2

About N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide

N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide (PubChem CID 124908441) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide
PubChem CID124908441
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(C)(=O)=O)NC1
InChIInChI=1S/C12H24N4O2S/c1-9-5-4-6-11(10(9)2)16-7-13-12(14-8-16)15-19(3,17)18/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyOZPLGMFKXGJMJB-OUAUKWLOSA-N
XLogP0.54
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide?
The IUPAC name of N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide (CID 124908441) is N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide is C[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(C)(=O)=O)NC1.
What is the InChIKey of N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide?
The InChIKey is OZPLGMFKXGJMJB-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9-5-4-6-11(10(9)2)16-7-13-12(14-8-16)15-19(3,17)18/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1.
What are the key properties of N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide?
N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]methanesulfonamide is sourced from PubChem (CID 124908441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).