[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine

C13H20N2OS — CID 113384740

IUPAC[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
SMILESCN1CCOC(CSc2ccc(CN)cc2)C1
InChIInChI=1S/C13H20N2OS/c1-15-6-7-16-12(9-15)10-17-13-4-2-11(8-14)3-5-13/h2-5,12H,6-10,14H2,1H3
InChIKeyLYTVFYCBQWDPNJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.57
Rot. Bonds4

About [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine

[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine (PubChem CID 113384740) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
PubChem CID113384740
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
SMILESCN1CCOC(CSc2ccc(CN)cc2)C1
InChIInChI=1S/C13H20N2OS/c1-15-6-7-16-12(9-15)10-17-13-4-2-11(8-14)3-5-13/h2-5,12H,6-10,14H2,1H3
InChIKeyLYTVFYCBQWDPNJ-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine (CID 113384740) is [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine is CN1CCOC(CSc2ccc(CN)cc2)C1.
What is the InChIKey of [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine?
The InChIKey is LYTVFYCBQWDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15-6-7-16-12(9-15)10-17-13-4-2-11(8-14)3-5-13/h2-5,12H,6-10,14H2,1H3.
What are the key properties of [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine?
[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine has a molecular weight of 252.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 113384740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).