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

C14H19NS — CID 115892439

IUPACN-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1CC(NC2CSCc3ccccc32)C1
InChIInChI=1S/C14H19NS/c1-10-6-12(7-10)15-14-9-16-8-11-4-2-3-5-13(11)14/h2-5,10,12,14-15H,6-9H2,1H3
InChIKeyHYCNBUHIHMNTDI-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.36
Rot. Bonds2

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

N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 115892439) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID115892439
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1CC(NC2CSCc3ccccc32)C1
InChIInChI=1S/C14H19NS/c1-10-6-12(7-10)15-14-9-16-8-11-4-2-3-5-13(11)14/h2-5,10,12,14-15H,6-9H2,1H3
InChIKeyHYCNBUHIHMNTDI-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methylcyclobutyl)-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-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
CID 43778576
N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43784400
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 103787304
N-(2-ethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115718050
N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115712822
N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 113261445
N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
N-(2-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43757867
1-benzyl-N-(3,4-dihydro-1H-isothiochromen-4-yl)piperidin-3-amine
CID 113239317
(3R)-3-[[(4R)-3,4-dihydro-1H-isothiochromen-4-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074573
1-N-(3,4-dihydro-1H-isothiochromen-4-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769959
4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-2,5-dimethylphenol
CID 106953930

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine (CID 115892439) is N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine is CC1CC(NC2CSCc3ccccc32)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is HYCNBUHIHMNTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-10-6-12(7-10)15-14-9-16-8-11-4-2-3-5-13(11)14/h2-5,10,12,14-15H,6-9H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine?
N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 233.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 115892439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).