N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C16H26N2S — CID 43758956

IUPACN-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CSCc2ccccc21
InChIInChI=1S/C16H26N2S/c1-16(2,12-18(3)4)11-17-15-10-19-9-13-7-5-6-8-14(13)15/h5-8,15,17H,9-12H2,1-4H3
InChIKeyOPRIXUVGRWTDCC-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.15
Rot. Bonds5

About N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 43758956) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID43758956
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CSCc2ccccc21
InChIInChI=1S/C16H26N2S/c1-16(2,12-18(3)4)11-17-15-10-19-9-13-7-5-6-8-14(13)15/h5-8,15,17H,9-12H2,1-4H3
InChIKeyOPRIXUVGRWTDCC-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine 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-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 43758956) is N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNC1CSCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is OPRIXUVGRWTDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-16(2,12-18(3)4)11-17-15-10-19-9-13-7-5-6-8-14(13)15/h5-8,15,17H,9-12H2,1-4H3.
What are the key properties of N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 278.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43758956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).