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

C18H30N2O2S — CID 19823507

IUPACN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(CNS(C)(=O)=O)c2C1
InChIInChI=1S/C18H30N2O2S/c1-4-11-20(12-5-2)17-10-9-15-7-6-8-16(18(15)13-17)14-19-23(3,21)22/h6-8,17,19H,4-5,9-14H2,1-3H3
InChIKeyAQGJPUOQWKCEJQ-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.72
Rot. Bonds8

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

N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (PubChem CID 19823507) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
PubChem CID19823507
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESCCCN(CCC)C1CCc2cccc(CNS(C)(=O)=O)c2C1
InChIInChI=1S/C18H30N2O2S/c1-4-11-20(12-5-2)17-10-9-15-7-6-8-16(18(15)13-17)14-19-23(3,21)22/h6-8,17,19H,4-5,9-14H2,1-3H3
InChIKeyAQGJPUOQWKCEJQ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.72
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-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (CID 19823507) is N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide is CCCN(CCC)C1CCc2cccc(CNS(C)(=O)=O)c2C1.
What is the InChIKey of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The InChIKey is AQGJPUOQWKCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-4-11-20(12-5-2)17-10-9-15-7-6-8-16(18(15)13-17)14-19-23(3,21)22/h6-8,17,19H,4-5,9-14H2,1-3H3.
What are the key properties of N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
N-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 2.72, 8 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-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 19823507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).