N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine

C16H24N2O3S — CID 75428071

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCOc3ccccc32)CC1
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)18-9-6-14(7-10-18)17-12-13-8-11-21-16-5-3-2-4-15(13)16/h2-5,13-14,17H,6-12H2,1H3
InChIKeyNJESEKWEQQCOCY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.57
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 75428071) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID75428071
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCOc3ccccc32)CC1
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)18-9-6-14(7-10-18)17-12-13-8-11-21-16-5-3-2-4-15(13)16/h2-5,13-14,17H,6-12H2,1H3
InChIKeyNJESEKWEQQCOCY-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dioxothian-3-amine
CID 115756883
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115757137
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine (CID 75428071) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCC2CCOc3ccccc32)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is NJESEKWEQQCOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(19,20)18-9-6-14(7-10-18)17-12-13-8-11-21-16-5-3-2-4-15(13)16/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 75428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).