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

C14H19NOS — CID 43778576

IUPACN-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
SMILESc1ccc2c(c1)CSCC2NC1CCOCC1
InChIInChI=1S/C14H19NOS/c1-2-4-13-11(3-1)9-17-10-14(13)15-12-5-7-16-8-6-12/h1-4,12,14-15H,5-10H2
InChIKeyIAQQBTNHGFFGCO-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.74
Rot. Bonds2

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

N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine (PubChem CID 43778576) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
PubChem CID43778576
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
SMILESc1ccc2c(c1)CSCC2NC1CCOCC1
InChIInChI=1S/C14H19NOS/c1-2-4-13-11(3-1)9-17-10-14(13)15-12-5-7-16-8-6-12/h1-4,12,14-15H,5-10H2
InChIKeyIAQQBTNHGFFGCO-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 55227965
N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115892439
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 103787304
1-benzyl-N-(3,4-dihydro-1H-isothiochromen-4-yl)piperidin-3-amine
CID 113239317
N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43769539
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43784400
(3R)-3-[[(4R)-3,4-dihydro-1H-isothiochromen-4-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074573
N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
CID 43778008
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43775070
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine?
The IUPAC name of N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine (CID 43778576) is N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine is c1ccc2c(c1)CSCC2NC1CCOCC1.
What is the InChIKey of N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine?
The InChIKey is IAQQBTNHGFFGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-4-13-11(3-1)9-17-10-14(13)15-12-5-7-16-8-6-12/h1-4,12,14-15H,5-10H2.
What are the key properties of N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine?
N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine has a molecular weight of 249.38 g/mol, XLogP of 2.74, 2 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)oxan-4-amine is sourced from PubChem (CID 43778576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).