N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

C17H28N4O2S — CID 72914151

IUPACN-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC3CCS(=O)(=O)C3)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O2S/c1-3-4-15-11-17(19-13(2)18-15)21-8-5-14(6-9-21)20-16-7-10-24(22,23)12-16/h11,14,16,20H,3-10,12H2,1-2H3
InChIKeyNCHWXHFPYMXNEL-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.48
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72914151) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72914151
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC3CCS(=O)(=O)C3)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O2S/c1-3-4-15-11-17(19-13(2)18-15)21-8-5-14(6-9-21)20-16-7-10-24(22,23)12-16/h11,14,16,20H,3-10,12H2,1-2H3
InChIKeyNCHWXHFPYMXNEL-UHFFFAOYSA-N
XLogP1.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine 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

Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine
CID 25131544
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56709106
(3S,4S)-4-[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]-1,1-dioxothiolan-3-ol
CID 72865284
N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
CID 75434715
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
1-(2-Methyl-6-propylpyrimidin-4-YL)-N-[(3R)-pyrrolidin-3-YL]piperidin-4-amine
CID 72875863
N-{1-[2-Amino-6-(3-aminocyclobutyl)pyrimidin-4-YL]piperidin-4-YL}methanesulfonamide
CID 91777271
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 45808518
2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 72916903

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (CID 72914151) is N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(NC3CCS(=O)(=O)C3)CC2)nc(C)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is NCHWXHFPYMXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-3-4-15-11-17(19-13(2)18-15)21-8-5-14(6-9-21)20-16-7-10-24(22,23)12-16/h11,14,16,20H,3-10,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 352.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72914151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).