4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine

C20H30N2O3S — CID 110284728

IUPAC4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H30N2O3S/c23-26(24,20-6-5-18-3-1-2-4-19(18)15-20)22-9-7-17(8-10-22)16-21-11-13-25-14-12-21/h5-6,15,17H,1-4,7-14,16H2
InChIKeyYQBFDCXFOUZJTQ-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.30
Rot. Bonds4

About 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine

4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine (PubChem CID 110284728) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
PubChem CID110284728
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H30N2O3S/c23-26(24,20-6-5-18-3-1-2-4-19(18)15-20)22-9-7-17(8-10-22)16-21-11-13-25-14-12-21/h5-6,15,17H,1-4,7-14,16H2
InChIKeyYQBFDCXFOUZJTQ-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46807174
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]methyl]azepane
CID 50848210
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 16677670

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine (CID 110284728) is 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is YQBFDCXFOUZJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-26(24,20-6-5-18-3-1-2-4-19(18)15-20)22-9-7-17(8-10-22)16-21-11-13-25-14-12-21/h5-6,15,17H,1-4,7-14,16H2.
What are the key properties of 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine?
4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 378.54 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 110284728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).