[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C18H21NO3S — CID 46889892

IUPAC[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCOc1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1
InChIInChI=1S/C18H21NO3S/c1-22-15-6-3-7-16(11-15)23(20,21)17-8-9-18-13(10-17)4-2-5-14(18)12-19/h3,6-11,14H,2,4-5,12,19H2,1H3/t14-/m0/s1
InChIKeyAFUXQNIXEDBRMY-AWEZNQCLSA-N
MW331.44 g/mol
LogP2.91
Rot. Bonds4

About [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 46889892) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID46889892
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESCOc1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1
InChIInChI=1S/C18H21NO3S/c1-22-15-6-3-7-16(11-15)23(20,21)17-8-9-18-13(10-17)4-2-5-14(18)12-19/h3,6-11,14H,2,4-5,12,19H2,1H3/t14-/m0/s1
InChIKeyAFUXQNIXEDBRMY-AWEZNQCLSA-N
XLogP2.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methanamine;6-(3-methoxyphenyl)sulfonyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 143248357
[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 66651597
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
2-[6-(2-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 11609675
ethyl 2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]acetate;ethyl 2-oxoacetate;[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 161163597
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 46889892) is [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is COc1cccc(S(=O)(=O)c2ccc3c(c2)CCC[C@H]3CN)c1.
What is the InChIKey of [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is AFUXQNIXEDBRMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-22-15-6-3-7-16(11-15)23(20,21)17-8-9-18-13(10-17)4-2-5-14(18)12-19/h3,6-11,14H,2,4-5,12,19H2,1H3/t14-/m0/s1.
What are the key properties of [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 331.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 46889892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).