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

C14H19NOS — CID 102671261

IUPACN-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1SCCC1NC1CCOc2ccccc21
InChIInChI=1S/C14H19NOS/c1-10-12(7-9-17-10)15-13-6-8-16-14-5-3-2-4-11(13)14/h2-5,10,12-13,15H,6-9H2,1H3
InChIKeyITCRTFVKDTYJFH-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.99
Rot. Bonds2

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

N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102671261) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID102671261
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1SCCC1NC1CCOc2ccccc21
InChIInChI=1S/C14H19NOS/c1-10-12(7-9-17-10)15-13-6-8-16-14-5-3-2-4-11(13)14/h2-5,10,12-13,15H,6-9H2,1H3
InChIKeyITCRTFVKDTYJFH-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-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

trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
CID 62743006
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]acetamide
CID 95630096
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795

Frequently Asked Questions

What is the IUPAC name of N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 102671261) is N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is CC1SCCC1NC1CCOc2ccccc21.
What is the InChIKey of N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ITCRTFVKDTYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10-12(7-9-17-10)15-13-6-8-16-14-5-3-2-4-11(13)14/h2-5,10,12-13,15H,6-9H2,1H3.
What are the key properties of N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 249.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).