(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine

C11H18N4O2S — CID 97164762

IUPAC(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(S(=O)(=O)c2nccnc2C)C1
InChIInChI=1S/C11H18N4O2S/c1-9-11(14-6-5-13-9)18(16,17)15-7-3-4-10(8-15)12-2/h5-6,10,12H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyNWMYIGLLNAJDIV-SNVBAGLBSA-N
MW270.36 g/mol
LogP0.16
Rot. Bonds3

About (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine

(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine (PubChem CID 97164762) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
PubChem CID97164762
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(S(=O)(=O)c2nccnc2C)C1
InChIInChI=1S/C11H18N4O2S/c1-9-11(14-6-5-13-9)18(16,17)15-7-3-4-10(8-15)12-2/h5-6,10,12H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyNWMYIGLLNAJDIV-SNVBAGLBSA-N
XLogP0.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 71642687
(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
CID 97164781
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 115300233
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine
CID 120714713

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine (CID 97164762) is (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine is CN[C@@H]1CCCN(S(=O)(=O)c2nccnc2C)C1.
What is the InChIKey of (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine?
The InChIKey is NWMYIGLLNAJDIV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-11(14-6-5-13-9)18(16,17)15-7-3-4-10(8-15)12-2/h5-6,10,12H,3-4,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine?
(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 97164762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).