N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine

C7H16N2OS — CID 84655744

IUPACN-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CNC1
InChIInChI=1S/C7H16N2OS/c1-11(10)3-2-8-4-7-5-9-6-7/h7-9H,2-6H2,1H3
InChIKeyVGMAIBXRNRZQHL-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.83
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine

N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine (PubChem CID 84655744) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine
PubChem CID84655744
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CNC1
InChIInChI=1S/C7H16N2OS/c1-11(10)3-2-8-4-7-5-9-6-7/h7-9H,2-6H2,1H3
InChIKeyVGMAIBXRNRZQHL-UHFFFAOYSA-N
XLogP-0.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Azetidin-3-yl)methyl](imino)methyl-lambda6-sulfanone
CID 139026528
3-(Propan-2-ylsulfinylmethyl)azetidine
CID 81197371
3-(Ethylsulfinylmethyl)azetidine
CID 81202717
3-(Methanesulfinylmethyl)azetidine
CID 81207858
2-methyl-N-(2-methylsulfinylethyl)propan-1-amine
CID 88957214
N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine
CID 88978469
N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
CID 132082182
N-methyl-1-(1-oxothietan-3-yl)methanamine
CID 142607679
ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
CID 145388817
3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
CID 170709084
1-Deuterio-3-(ethylsulfinylmethyl)azetidine
CID 175869122
2-methyl-N-[2-[2-(2-methylpropylamino)ethylsulfinyl]ethyl]propan-1-amine
CID 23261505

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine (CID 84655744) is N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine is CS(=O)CCNCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine?
The InChIKey is VGMAIBXRNRZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(10)3-2-8-4-7-5-9-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine?
N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine has a molecular weight of 176.28 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine is sourced from PubChem (CID 84655744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).