N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine

C16H21N3O2S — CID 11738697

IUPACN,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCNCC3)cccc12
InChIInChI=1S/C16H21N3O2S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)22(20,21)19-11-9-17-10-12-19/h3-8,17H,9-12H2,1-2H3
InChIKeyNRTFFCBHBQNURK-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine

N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine (PubChem CID 11738697) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine
PubChem CID11738697
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCNCC3)cccc12
InChIInChI=1S/C16H21N3O2S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)22(20,21)19-11-9-17-10-12-19/h3-8,17H,9-12H2,1-2H3
InChIKeyNRTFFCBHBQNURK-UHFFFAOYSA-N
XLogP1.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine (CID 11738697) is N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCNCC3)cccc12.
What is the InChIKey of N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine?
The InChIKey is NRTFFCBHBQNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)22(20,21)19-11-9-17-10-12-19/h3-8,17H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine?
N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine has a molecular weight of 319.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 11738697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).