(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine

C19H27N5O3S — CID 34060541

IUPAC(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C19H27N5O3S/c1-14-12-24(13-15(2)27-14)28(25,26)23-10-8-22(9-11-23)19-16(3)20-17-6-4-5-7-18(17)21-19/h4-7,14-15H,8-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyKPTCELFBTRBILI-GJZGRUSLSA-N
MW405.52 g/mol
LogP1.41
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine

(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 34060541) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
PubChem CID34060541
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C19H27N5O3S/c1-14-12-24(13-15(2)27-14)28(25,26)23-10-8-22(9-11-23)19-16(3)20-17-6-4-5-7-18(17)21-19/h4-7,14-15H,8-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyKPTCELFBTRBILI-GJZGRUSLSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
CID 34060766
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 42897711
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
CID 42954865
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31014988
4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55512165
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 31012765
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 39999948
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine (CID 34060541) is (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine is Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is KPTCELFBTRBILI-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14-12-24(13-15(2)27-14)28(25,26)23-10-8-22(9-11-23)19-16(3)20-17-6-4-5-7-18(17)21-19/h4-7,14-15H,8-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine?
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 405.52 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 34060541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).