(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine

C18H27BrN2O4S — CID 51728032

IUPAC(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1
InChIInChI=1S/C18H27BrN2O4S/c1-13-11-20(12-14(2)25-13)16-6-8-21(9-7-16)26(22,23)18-10-15(19)4-5-17(18)24-3/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLWVYTAMMTLVINX-ZIAGYGMSSA-N
MW447.40 g/mol
LogP2.72
Rot. Bonds4

About (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine

(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 51728032) has the molecular formula C18H27BrN2O4S and a molecular weight of 447.40 g/mol. Its IUPAC name is (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID51728032
Molecular FormulaC18H27BrN2O4S
Molecular Weight447.40 g/mol
Exact Mass446.09
IUPAC Name(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1
InChIInChI=1S/C18H27BrN2O4S/c1-13-11-20(12-14(2)25-13)16-6-8-21(9-7-16)26(22,23)18-10-15(19)4-5-17(18)24-3/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLWVYTAMMTLVINX-ZIAGYGMSSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-methoxyphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979931
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
4-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-1,4-oxazepane
CID 62967481
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
2-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718293
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
1-[1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977607
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine (CID 51728032) is (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine is COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1.
What is the InChIKey of (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is LWVYTAMMTLVINX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27BrN2O4S/c1-13-11-20(12-14(2)25-13)16-6-8-21(9-7-16)26(22,23)18-10-15(19)4-5-17(18)24-3/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 447.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 51728032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).