(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine

C25H34N2O5S2 — CID 124739758

IUPAC(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C25H34N2O5S2/c1-19-8-4-6-16-26(19)33(28,29)23-13-10-21(11-14-23)24-15-12-22(32-3)18-25(24)34(30,31)27-17-7-5-9-20(27)2/h10-15,18-20H,4-9,16-17H2,1-3H3/t19-,20-/m1/s1
InChIKeyTXJASDULILAQDR-WOJBJXKFSA-N
MW506.69 g/mol
LogP4.49
Rot. Bonds6

About (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine

(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine (PubChem CID 124739758) has the molecular formula C25H34N2O5S2 and a molecular weight of 506.69 g/mol. Its IUPAC name is (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
PubChem CID124739758
Molecular FormulaC25H34N2O5S2
Molecular Weight506.69 g/mol
Exact Mass506.19
IUPAC Name(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(S(=O)(=O)N2CCCC[C@H]2C)c1
InChIInChI=1S/C25H34N2O5S2/c1-19-8-4-6-16-26(19)33(28,29)23-13-10-21(11-14-23)24-15-12-22(32-3)18-25(24)34(30,31)27-17-7-5-9-20(27)2/h10-15,18-20H,4-9,16-17H2,1-3H3/t19-,20-/m1/s1
InChIKeyTXJASDULILAQDR-WOJBJXKFSA-N
XLogP4.49
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
methyl 2-[5-methoxy-2-(2-methylpiperidin-1-yl)sulfonylphenyl]acetate
CID 126819068
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine?
The IUPAC name of (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine (CID 124739758) is (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine?
The canonical SMILES for (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(S(=O)(=O)N2CCCC[C@H]2C)c1.
What is the InChIKey of (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine?
The InChIKey is TXJASDULILAQDR-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H34N2O5S2/c1-19-8-4-6-16-26(19)33(28,29)23-13-10-21(11-14-23)24-15-12-22(32-3)18-25(24)34(30,31)27-17-7-5-9-20(27)2/h10-15,18-20H,4-9,16-17H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine?
(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine has a molecular weight of 506.69 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine is sourced from PubChem (CID 124739758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).