(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

C10H13NOS — CID 82886827

IUPAC(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CSC2
InChIInChI=1S/C10H13NOS/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m1/s1
InChIKeyKOUCAODLGVJPTR-SNVBAGLBSA-N
MW195.29 g/mol
LogP1.94
Rot. Bonds1

About (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82886827) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82886827
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CSC2
InChIInChI=1S/C10H13NOS/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m1/s1
InChIKeyKOUCAODLGVJPTR-SNVBAGLBSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887329
(4R)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888136
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887708
(5R)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885997
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
4-methoxy-2-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-amine
CID 81422141
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (CID 82886827) is (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is COc1ccc2c(c1)[C@H](N)CSC2.
What is the InChIKey of (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is KOUCAODLGVJPTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NOS/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,10H,5-6,11H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 195.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82886827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).