3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine

C19H27NO4S2 — CID 90594025

IUPAC3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C19H27NO4S2/c21-25(22,17-8-2-1-3-9-17)19-13-20(14-19)26(23,24)18-11-10-15-6-4-5-7-16(15)12-18/h10-12,17,19H,1-9,13-14H2
InChIKeyGYLGFALDNCGMPX-UHFFFAOYSA-N
MW397.56 g/mol
LogP2.69
Rot. Bonds4

About 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine

3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine (PubChem CID 90594025) has the molecular formula C19H27NO4S2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
PubChem CID90594025
Molecular FormulaC19H27NO4S2
Molecular Weight397.56 g/mol
Exact Mass397.14
IUPAC Name3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
SMILESO=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C19H27NO4S2/c21-25(22,17-8-2-1-3-9-17)19-13-20(14-19)26(23,24)18-11-10-15-6-4-5-7-16(15)12-18/h10-12,17,19H,1-9,13-14H2
InChIKeyGYLGFALDNCGMPX-UHFFFAOYSA-N
XLogP2.69
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone
CID 90594011
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
3-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 121146815

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The IUPAC name of 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine (CID 90594025) is 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine.
What is the SMILES notation for 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The canonical SMILES for 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine is O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The InChIKey is GYLGFALDNCGMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S2/c21-25(22,17-8-2-1-3-9-17)19-13-20(14-19)26(23,24)18-11-10-15-6-4-5-7-16(15)12-18/h10-12,17,19H,1-9,13-14H2.
What are the key properties of 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine has a molecular weight of 397.56 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine is sourced from PubChem (CID 90594025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).