N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine

C16H20N2O3S — CID 658467

IUPACN,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12
InChIInChI=1S/C16H20N2O3S/c1-17(2)15-7-3-6-14-13(15)5-4-8-16(14)22(19,20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3
InChIKeyBMPMMAGFHGAYLM-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.93
Rot. Bonds3

About N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine

N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine (PubChem CID 658467) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine
PubChem CID658467
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12
InChIInChI=1S/C16H20N2O3S/c1-17(2)15-7-3-6-14-13(15)5-4-8-16(14)22(19,20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3
InChIKeyBMPMMAGFHGAYLM-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine (CID 658467) is N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12.
What is the InChIKey of N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine?
The InChIKey is BMPMMAGFHGAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-17(2)15-7-3-6-14-13(15)5-4-8-16(14)22(19,20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine?
N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine has a molecular weight of 320.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-morpholin-4-ylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 658467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).