ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene

C21H31NO3S — CID 143248357

IUPACethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CN.COc1cccc(S(=O)(=O)c2ccc3c(c2)CCCC3C)c1
InChIInChI=1S/C18H20O3S.C2H6.CH5N/c1-13-5-3-6-14-11-17(9-10-18(13)14)22(19,20)16-8-4-7-15(12-16)21-2;2*1-2/h4,7-13H,3,5-6H2,1-2H3;1-2H3;2H2,1H3
InChIKeyFOQUALRBBYSJQH-UHFFFAOYSA-N
MW377.55 g/mol
LogP4.57
Rot. Bonds3

About ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene

ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 143248357) has the molecular formula C21H31NO3S and a molecular weight of 377.55 g/mol. Its IUPAC name is ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID143248357
Molecular FormulaC21H31NO3S
Molecular Weight377.55 g/mol
Exact Mass377.20
IUPAC Nameethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CN.COc1cccc(S(=O)(=O)c2ccc3c(c2)CCCC3C)c1
InChIInChI=1S/C18H20O3S.C2H6.CH5N/c1-13-5-3-6-14-11-17(9-10-18(13)14)22(19,20)16-8-4-7-15(12-16)21-2;2*1-2/h4,7-13H,3,5-6H2,1-2H3;1-2H3;2H2,1H3
InChIKeyFOQUALRBBYSJQH-UHFFFAOYSA-N
XLogP4.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889892
4-(4-Methoxy-benzenesulfonyl)-biphenyl
CID 680106
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
CID 102218720
2,5-Dimethoxyphenyl 3,4-dimethylphenyl sulfone
CID 789369
2-(4-Methoxybenzene-1-sulfinyl)naphthalene
CID 71423717
2-(4-Methoxyphenyl)sulfonylnaphthalene
CID 85788646
1-(4-Methoxyphenyl)-2-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 102218710
1-(4-Methoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
CID 102218718
Imino-(4-methoxyphenyl)-naphthalen-2-yl-oxo-lambda6-sulfane
CID 155936163
3-(4-Methoxyphenyl)sulfonyl-1,2-dihydronaphthalene
CID 164666998
4-(4-Fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylbenzene
CID 102218722
1-[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 11631580

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 143248357) is ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene is CC.CN.COc1cccc(S(=O)(=O)c2ccc3c(c2)CCCC3C)c1.
What is the InChIKey of ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FOQUALRBBYSJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S.C2H6.CH5N/c1-13-5-3-6-14-11-17(9-10-18(13)14)22(19,20)16-8-4-7-15(12-16)21-2;2*1-2/h4,7-13H,3,5-6H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene?
ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 377.55 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143248357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).