1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine

C18H21NO2S — CID 11515192

IUPAC1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H21NO2S/c1-19-13-15-7-5-6-14-12-17(10-11-18(14)15)22(20,21)16-8-3-2-4-9-16/h2-4,8-12,15,19H,5-7,13H2,1H3
InChIKeyYUUJDPSKULOBRB-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.16
Rot. Bonds4

About 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine

1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine (PubChem CID 11515192) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
PubChem CID11515192
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H21NO2S/c1-19-13-15-7-5-6-14-12-17(10-11-18(14)15)22(20,21)16-8-3-2-4-9-16/h2-4,8-12,15,19H,5-7,13H2,1H3
InChIKeyYUUJDPSKULOBRB-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine (CID 11515192) is 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine is CNCC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine?
The InChIKey is YUUJDPSKULOBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-19-13-15-7-5-6-14-12-17(10-11-18(14)15)22(20,21)16-8-3-2-4-9-16/h2-4,8-12,15,19H,5-7,13H2,1H3.
What are the key properties of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine?
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine has a molecular weight of 315.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine is sourced from PubChem (CID 11515192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).