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

C17H28N2O2S — CID 14566736

IUPACN-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2ccc(NS(C)(=O)=O)cc2C1
InChIInChI=1S/C17H28N2O2S/c1-4-10-19(11-5-2)17-9-7-14-6-8-16(12-15(14)13-17)18-22(3,20)21/h6,8,12,17-18H,4-5,7,9-11,13H2,1-3H3
InChIKeyDXKMPPBAHDTALZ-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.04
Rot. Bonds7

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

N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide (PubChem CID 14566736) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide
PubChem CID14566736
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2ccc(NS(C)(=O)=O)cc2C1
InChIInChI=1S/C17H28N2O2S/c1-4-10-19(11-5-2)17-9-7-14-6-8-16(12-15(14)13-17)18-22(3,20)21/h6,8,12,17-18H,4-5,7,9-11,13H2,1-3H3
InChIKeyDXKMPPBAHDTALZ-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide (CID 14566736) is N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide is CCCN(CCC)C1CCc2ccc(NS(C)(=O)=O)cc2C1.
What is the InChIKey of N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide?
The InChIKey is DXKMPPBAHDTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-4-10-19(11-5-2)17-9-7-14-6-8-16(12-15(14)13-17)18-22(3,20)21/h6,8,12,17-18H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide?
N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 14566736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).