N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C12H21N3OS — CID 112665585

IUPACN-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCSCCN(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C12H21N3OS/c1-15(5-6-17-2)9-12-7-11(14-16-12)8-13-10-3-4-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyMYCJKXILIOIFNC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.72
Rot. Bonds8

About N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 112665585) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID112665585
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCSCCN(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C12H21N3OS/c1-15(5-6-17-2)9-12-7-11(14-16-12)8-13-10-3-4-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyMYCJKXILIOIFNC-UHFFFAOYSA-N
XLogP1.72
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869
Methyl((5-methyl-1,2-oxazol-3-yl)methyl)amine
CID 23006273
N-(3-methylbutan-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropanamine
CID 53522289
2-[(3-Methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetamide
CID 53524899
N-(3-methylbutan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 53526799
2-[(5-Methyl-1,2-oxazol-3-yl)methyl-(2-methylpropyl)amino]acetamide
CID 53527773
Methyl 2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 53583821
N-methyl-1-(3-methylisoxazol-5-yl)methanamine
CID 25220779
1-((5-Methyl-1,2-oxazol-3-yl)methyl)-1,4-diazepane
CID 28781812
N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 47321097
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-methylsulfonylethyl)propan-2-amine
CID 84589757

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 112665585) is N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CSCCN(C)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is MYCJKXILIOIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(5-6-17-2)9-12-7-11(14-16-12)8-13-10-3-4-10/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 255.39 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).