N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

C16H19NO2S — CID 43786832

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCSCc1ccc(CNC2CCOc3ccccc32)o1
InChIInChI=1S/C16H19NO2S/c1-20-11-13-7-6-12(19-13)10-17-15-8-9-18-16-5-3-2-4-14(15)16/h2-7,15,17H,8-11H2,1H3
InChIKeyWOFJVSIGQYWUPW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.76
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43786832) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43786832
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCSCc1ccc(CNC2CCOc3ccccc32)o1
InChIInChI=1S/C16H19NO2S/c1-20-11-13-7-6-12(19-13)10-17-15-8-9-18-16-5-3-2-4-14(15)16/h2-7,15,17H,8-11H2,1H3
InChIKeyWOFJVSIGQYWUPW-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-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

N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
methyl 5-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-3-carboxylate
CID 104585759
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43786832) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is CSCc1ccc(CNC2CCOc3ccccc32)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WOFJVSIGQYWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-20-11-13-7-6-12(19-13)10-17-15-8-9-18-16-5-3-2-4-14(15)16/h2-7,15,17H,8-11H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43786832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).