(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine

C12H20N4O2S — CID 97164781

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCN[C@H]1CCCN(S(=O)(=O)c2nc(C)cc(C)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-9-7-10(2)15-12(14-9)19(17,18)16-6-4-5-11(8-16)13-3/h7,11,13H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyVNVYFIBIKWDOOE-NSHDSACASA-N
MW284.38 g/mol
LogP0.47
Rot. Bonds3

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine

(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 97164781) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID97164781
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCN[C@H]1CCCN(S(=O)(=O)c2nc(C)cc(C)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-9-7-10(2)15-12(14-9)19(17,18)16-6-4-5-11(8-16)13-3/h7,11,13H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyVNVYFIBIKWDOOE-NSHDSACASA-N
XLogP0.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 71638340
(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 97164762
N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 71642687
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 120715329

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine (CID 97164781) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine is CN[C@H]1CCCN(S(=O)(=O)c2nc(C)cc(C)n2)C1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is VNVYFIBIKWDOOE-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-7-10(2)15-12(14-9)19(17,18)16-6-4-5-11(8-16)13-3/h7,11,13H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 97164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).