N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine

C16H19NOS — CID 43783217

IUPACN-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC(Cc1ccco1)NC1CSCc2ccccc21
InChIInChI=1S/C16H19NOS/c1-12(9-14-6-4-8-18-14)17-16-11-19-10-13-5-2-3-7-15(13)16/h2-8,12,16-17H,9-11H2,1H3
InChIKeyBQRFNQWWCLEOIP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine

N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 43783217) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID43783217
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC(Cc1ccco1)NC1CSCc2ccccc21
InChIInChI=1S/C16H19NOS/c1-12(9-14-6-4-8-18-14)17-16-11-19-10-13-5-2-3-7-15(13)16/h2-8,12,16-17H,9-11H2,1H3
InChIKeyBQRFNQWWCLEOIP-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(furan-2-yl)propan-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine (CID 43783217) is N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine is CC(Cc1ccco1)NC1CSCc2ccccc21.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is BQRFNQWWCLEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(9-14-6-4-8-18-14)17-16-11-19-10-13-5-2-3-7-15(13)16/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine?
N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 43783217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).