(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide

C15H24N4O2S — CID 129374202

IUPAC(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CCCN(c2cc(N3CCS(=O)(=O)[C@H](C)C3)ncn2)C1
InChIInChI=1S/C15H24N4O2S/c1-12-4-3-5-18(9-12)14-8-15(17-11-16-14)19-6-7-22(20,21)13(2)10-19/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySGBFJYRVGRBUAG-QWHCGFSZSA-N
MW324.45 g/mol
LogP1.34
Rot. Bonds2

About (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide

(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 129374202) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID129374202
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CCCN(c2cc(N3CCS(=O)(=O)[C@H](C)C3)ncn2)C1
InChIInChI=1S/C15H24N4O2S/c1-12-4-3-5-18(9-12)14-8-15(17-11-16-14)19-6-7-22(20,21)13(2)10-19/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySGBFJYRVGRBUAG-QWHCGFSZSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide 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

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431434
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
ethyl 2-[4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]acetate
CID 133346435
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 129374202) is (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide is C[C@H]1CCCN(c2cc(N3CCS(=O)(=O)[C@H](C)C3)ncn2)C1.
What is the InChIKey of (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SGBFJYRVGRBUAG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-4-3-5-18(9-12)14-8-15(17-11-16-14)19-6-7-22(20,21)13(2)10-19/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 324.45 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 129374202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).