2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide

C19H30N2O2S — CID 54083145

IUPAC2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(C=CS(=O)(=O)NC)c2C1
InChIInChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-14-24(22,23)20-3/h6-8,11,14,18,20H,4-5,9-10,12-13,15H2,1-3H3
InChIKeyMONWXAYJNXOOTH-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.19
Rot. Bonds8

About 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide

2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide (PubChem CID 54083145) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide.

Molecular Properties

Compound Name2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide
PubChem CID54083145
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(C=CS(=O)(=O)NC)c2C1
InChIInChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-14-24(22,23)20-3/h6-8,11,14,18,20H,4-5,9-10,12-13,15H2,1-3H3
InChIKeyMONWXAYJNXOOTH-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide?
The IUPAC name of 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide (CID 54083145) is 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide.
What is the SMILES notation for 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide?
The canonical SMILES for 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide is CCCN(CCC)C1CCc2cccc(C=CS(=O)(=O)NC)c2C1.
What is the InChIKey of 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide?
The InChIKey is MONWXAYJNXOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-4-12-21(13-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-14-24(22,23)20-3/h6-8,11,14,18,20H,4-5,9-10,12-13,15H2,1-3H3.
What are the key properties of 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide?
2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide has a molecular weight of 350.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylethenesulfonamide is sourced from PubChem (CID 54083145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).