N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine

C16H24N2OS — CID 43769539

IUPACN-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESc1ccc2c(c1)CSCC2NCCCN1CCOCC1
InChIInChI=1S/C16H24N2OS/c1-2-5-15-14(4-1)12-20-13-16(15)17-6-3-7-18-8-10-19-11-9-18/h1-2,4-5,16-17H,3,6-13H2
InChIKeyTVPPLRAWBGUVQH-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.29
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine

N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 43769539) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID43769539
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESc1ccc2c(c1)CSCC2NCCCN1CCOCC1
InChIInChI=1S/C16H24N2OS/c1-2-5-15-14(4-1)12-20-13-16(15)17-6-3-7-18-8-10-19-11-9-18/h1-2,4-5,16-17H,3,6-13H2
InChIKeyTVPPLRAWBGUVQH-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-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-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43768389
N-(oxan-4-ylmethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 55227965
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115712822
N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522982
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-methylethanesulfonamide
CID 102676185
N-[4-(2-methoxyethoxy)butyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 115715459
N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
CID 43778576
N-(2-butoxyethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61170504
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461715
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine (CID 43769539) is N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine is c1ccc2c(c1)CSCC2NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is TVPPLRAWBGUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-5-15-14(4-1)12-20-13-16(15)17-6-3-7-18-8-10-19-11-9-18/h1-2,4-5,16-17H,3,6-13H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine?
N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 292.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 43769539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).