1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride

C13H23ClN4O4S — CID 119961286

IUPAC1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.Cl
InChIInChI=1S/C13H22N4O4S.ClH/c1-14-7-10-5-4-6-17(8-10)22(20,21)11-9-15(2)13(19)16(3)12(11)18;/h9-10,14H,4-8H2,1-3H3;1H
InChIKeyUPONRKUCPSSXQV-UHFFFAOYSA-N
MW366.87 g/mol
LogP-0.87
Rot. Bonds4

About 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride

1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119961286) has the molecular formula C13H23ClN4O4S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
PubChem CID119961286
Molecular FormulaC13H23ClN4O4S
Molecular Weight366.87 g/mol
Exact Mass366.11
IUPAC Name1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.Cl
InChIInChI=1S/C13H22N4O4S.ClH/c1-14-7-10-5-4-6-17(8-10)22(20,21)11-9-15(2)13(19)16(3)12(11)18;/h9-10,14H,4-8H2,1-3H3;1H
InChIKeyUPONRKUCPSSXQV-UHFFFAOYSA-N
XLogP-0.87
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride 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

1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119987763
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
1-[1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960918
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 79031036
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride (CID 119961286) is 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride is CNCC1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.Cl.
What is the InChIKey of 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is UPONRKUCPSSXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S.ClH/c1-14-7-10-5-4-6-17(8-10)22(20,21)11-9-15(2)13(19)16(3)12(11)18;/h9-10,14H,4-8H2,1-3H3;1H.
What are the key properties of 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride?
1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119961286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).