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

C16H20N2O2S — CID 738896

IUPACN,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12
InChIInChI=1S/C16H20N2O2S/c1-17(2)15-9-5-8-14-13(15)7-6-10-16(14)21(19,20)18-11-3-4-12-18/h5-10H,3-4,11-12H2,1-2H3
InChIKeyYDHGKNGVXOEORK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.69
Rot. Bonds3

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

N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine (PubChem CID 738896) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine
PubChem CID738896
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12
InChIInChI=1S/C16H20N2O2S/c1-17(2)15-9-5-8-14-13(15)7-6-10-16(14)21(19,20)18-11-3-4-12-18/h5-10H,3-4,11-12H2,1-2H3
InChIKeyYDHGKNGVXOEORK-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine (CID 738896) is N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12.
What is the InChIKey of N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine?
The InChIKey is YDHGKNGVXOEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17(2)15-9-5-8-14-13(15)7-6-10-16(14)21(19,20)18-11-3-4-12-18/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine?
N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine has a molecular weight of 304.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-pyrrolidin-1-ylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 738896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).