N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine

C16H20N4O3S — CID 124974810

IUPACN-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C16H20N4O3S/c1-12-3-5-13(6-4-12)24(21,22)20-9-10-23-14(11-20)15-16(17-2)19-8-7-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKTDHEMNDMHKRBG-CQSZACIVSA-N
MW348.43 g/mol
LogP1.59
Rot. Bonds4

About N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine

N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine (PubChem CID 124974810) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
PubChem CID124974810
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C16H20N4O3S/c1-12-3-5-13(6-4-12)24(21,22)20-9-10-23-14(11-20)15-16(17-2)19-8-7-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKTDHEMNDMHKRBG-CQSZACIVSA-N
XLogP1.59
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine
CID 125005024
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
3-[4-(4-methoxyphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 110112775
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 44576423
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
3-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124958682

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine (CID 124974810) is N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine is CNc1nccnc1[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The InChIKey is KTDHEMNDMHKRBG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-3-5-13(6-4-12)24(21,22)20-9-10-23-14(11-20)15-16(17-2)19-8-7-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 124974810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).