(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C14H19NOS — CID 107134004

IUPAC(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC(C1CCSC1)O2
InChIInChI=1S/C14H19NOS/c1-9-2-3-13-11(6-9)12(15)7-14(16-13)10-4-5-17-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m1/s1
InChIKeySZYVRYOJOGNLGJ-KSGYAGIASA-N
MW249.38 g/mol
LogP2.90
Rot. Bonds1

About (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107134004) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID107134004
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC(C1CCSC1)O2
InChIInChI=1S/C14H19NOS/c1-9-2-3-13-11(6-9)12(15)7-14(16-13)10-4-5-17-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m1/s1
InChIKeySZYVRYOJOGNLGJ-KSGYAGIASA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107133991
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103278037
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 107133958
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946373
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 107134004) is (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@H](N)CC(C1CCSC1)O2.
What is the InChIKey of (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SZYVRYOJOGNLGJ-KSGYAGIASA-N. The full InChI is InChI=1S/C14H19NOS/c1-9-2-3-13-11(6-9)12(15)7-14(16-13)10-4-5-17-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m1/s1.
What are the key properties of (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 249.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).