N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline

C13H20N2OS — CID 115237571

IUPACN-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
SMILESCSc1ccc(N(C)CC2CNCCO2)cc1
InChIInChI=1S/C13H20N2OS/c1-15(10-12-9-14-7-8-16-12)11-3-5-13(17-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeyAMPYVRAEGCPXSS-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline

N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline (PubChem CID 115237571) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
PubChem CID115237571
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
SMILESCSc1ccc(N(C)CC2CNCCO2)cc1
InChIInChI=1S/C13H20N2OS/c1-15(10-12-9-14-7-8-16-12)11-3-5-13(17-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeyAMPYVRAEGCPXSS-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418
4-methoxy-N,3,5-trimethyl-N-(morpholin-2-ylmethyl)aniline
CID 115237588
N,1-dimethyl-N-(morpholin-2-ylmethyl)benzimidazol-5-amine
CID 115237579
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
N-methyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116978150
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
N-methyl-N-(morpholin-2-ylmethyl)quinazolin-2-amine
CID 114789529
N-methyl-N-(morpholin-2-ylmethyl)-5-propylpyrimidin-2-amine
CID 116978147
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
3-[methyl(morpholin-2-ylmethyl)amino]-1H-pyrazin-2-one
CID 114571026

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline?
The IUPAC name of N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline (CID 115237571) is N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline is CSc1ccc(N(C)CC2CNCCO2)cc1.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline?
The InChIKey is AMPYVRAEGCPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(10-12-9-14-7-8-16-12)11-3-5-13(17-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline?
N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline has a molecular weight of 252.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline is sourced from PubChem (CID 115237571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).