4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane

C20H30N2O3S — CID 91922029

IUPAC4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC12CCNCC2
InChIInChI=1S/C20H30N2O3S/c1-25-14-18-13-22(15-20(18)8-10-21-11-9-20)26(23,24)19-7-6-16-4-2-3-5-17(16)12-19/h6-7,12,18,21H,2-5,8-11,13-15H2,1H3
InChIKeyPHUZDWWKDREKRH-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.20
Rot. Bonds4

About 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922029) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922029
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC12CCNCC2
InChIInChI=1S/C20H30N2O3S/c1-25-14-18-13-22(15-20(18)8-10-21-11-9-20)26(23,24)19-7-6-16-4-2-3-5-17(16)12-19/h6-7,12,18,21H,2-5,8-11,13-15H2,1H3
InChIKeyPHUZDWWKDREKRH-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-(3-chloro-4-methoxyphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910511
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 53008544
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane (CID 91922029) is 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is PHUZDWWKDREKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-25-14-18-13-22(15-20(18)8-10-21-11-9-20)26(23,24)19-7-6-16-4-2-3-5-17(16)12-19/h6-7,12,18,21H,2-5,8-11,13-15H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 378.54 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).