6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine

C14H16N2OS — CID 106540034

IUPAC6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3CCSC3)nccc2c1
InChIInChI=1S/C14H16N2OS/c1-17-12-2-3-13-10(8-12)4-6-15-14(13)16-11-5-7-18-9-11/h2-4,6,8,11H,5,7,9H2,1H3,(H,15,16)
InChIKeyCFDICVIVBGPDDV-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.16
Rot. Bonds3

About 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine

6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine (PubChem CID 106540034) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
PubChem CID106540034
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3CCSC3)nccc2c1
InChIInChI=1S/C14H16N2OS/c1-17-12-2-3-13-10(8-12)4-6-15-14(13)16-11-5-7-18-9-11/h2-4,6,8,11H,5,7,9H2,1H3,(H,15,16)
InChIKeyCFDICVIVBGPDDV-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
CID 106191834
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-methoxyisoquinolin-1-amine
CID 106538963
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540726
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
1-(thian-3-ylamino)isoquinolin-7-ol
CID 106539790
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine (CID 106540034) is 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine is COc1ccc2c(NC3CCSC3)nccc2c1.
What is the InChIKey of 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine?
The InChIKey is CFDICVIVBGPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-12-2-3-13-10(8-12)4-6-15-14(13)16-11-5-7-18-9-11/h2-4,6,8,11H,5,7,9H2,1H3,(H,15,16).
What are the key properties of 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine?
6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine has a molecular weight of 260.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).