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

C19H32N2O2S — CID 14181221

IUPACN-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(CCNS(C)(=O)=O)c2C1
InChIInChI=1S/C19H32N2O2S/c1-4-13-21(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-20-24(3,22)23/h6-8,18,20H,4-5,9-15H2,1-3H3
InChIKeyJXLLSRIENOWRSR-UHFFFAOYSA-N
MW352.54 g/mol
LogP2.76
Rot. Bonds9

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

N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide (PubChem CID 14181221) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide
PubChem CID14181221
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC NameN-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(CCNS(C)(=O)=O)c2C1
InChIInChI=1S/C19H32N2O2S/c1-4-13-21(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-20-24(3,22)23/h6-8,18,20H,4-5,9-15H2,1-3H3
InChIKeyJXLLSRIENOWRSR-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide (CID 14181221) is N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide is CCCN(CCC)C1CCc2cccc(CCNS(C)(=O)=O)c2C1.
What is the InChIKey of N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide?
The InChIKey is JXLLSRIENOWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-4-13-21(14-5-2)18-10-9-16-7-6-8-17(19(16)15-18)11-12-20-24(3,22)23/h6-8,18,20H,4-5,9-15H2,1-3H3.
What are the key properties of N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide?
N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide has a molecular weight of 352.54 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 14181221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).