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

C15H22N2O3S — CID 43628795

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOc3ccccc32)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)17-9-6-12(7-10-17)16-14-8-11-20-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3
InChIKeyVCUTWZZEPRXJDO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.52
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628795) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43628795
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOc3ccccc32)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)17-9-6-12(7-10-17)16-14-8-11-20-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3
InChIKeyVCUTWZZEPRXJDO-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-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-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
5-methyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110872050
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine (CID 43628795) is N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCOc3ccccc32)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is VCUTWZZEPRXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(18,19)17-9-6-12(7-10-17)16-14-8-11-20-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 310.42 g/mol, XLogP of 1.52, 3 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-yl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).