N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine

C11H24N2OS — CID 112664669

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)CC1(CN)CCCOC1
InChIInChI=1S/C11H24N2OS/c1-13(5-7-15-2)9-11(8-12)4-3-6-14-10-11/h3-10,12H2,1-2H3
InChIKeyCWIYPAPSUGWZAQ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds6

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 112664669) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID112664669
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)CC1(CN)CCCOC1
InChIInChI=1S/C11H24N2OS/c1-13(5-7-15-2)9-11(8-12)4-3-6-14-10-11/h3-10,12H2,1-2H3
InChIKeyCWIYPAPSUGWZAQ-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
5-[[3-(aminomethyl)oxolan-3-yl]methyl-methylamino]pentan-1-ol
CID 107204536
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 63741894
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
CID 63740897
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
[3-[[methyl(2-methylsulfonylethyl)amino]methyl]oxan-3-yl]methanol
CID 79858292
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
CID 63740502

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 112664669) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine is CSCCN(C)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is CWIYPAPSUGWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-13(5-7-15-2)9-11(8-12)4-3-6-14-10-11/h3-10,12H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 112664669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).