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

C7H16N2OS — CID 84655749

IUPACN-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CCN1
InChIInChI=1S/C7H16N2OS/c1-11(10)5-4-8-6-7-2-3-9-7/h7-9H,2-6H2,1H3
InChIKeyLXSNXTVPSMVUIH-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.68
Rot. Bonds5

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

N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine (PubChem CID 84655749) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine
PubChem CID84655749
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCC1CCN1
InChIInChI=1S/C7H16N2OS/c1-11(10)5-4-8-6-7-2-3-9-7/h7-9H,2-6H2,1H3
InChIKeyLXSNXTVPSMVUIH-UHFFFAOYSA-N
XLogP-0.68
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 ≤ 5-0.68
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

N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
CID 90078049
1-N-(1,1-dioxothietan-3-yl)propane-1,2-diamine
CID 156339489
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
CID 170709017
3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
CID 170709084
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 175979504
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
CID 176890270
1-(3-Methylsulfonylpropyl)azetidin-3-amine
CID 63760695
1-(2-Ethylsulfonylethyl)azetidin-3-amine
CID 63760901
1-(2-Methylsulfonylethyl)azetidin-3-amine
CID 63760915
N-(3-methylsulfanylpropyl)azetidin-3-amine
CID 65957838
N-(2-methylsulfonylethyl)azetidin-3-amine
CID 65958901

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine?
The IUPAC name of N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine (CID 84655749) is N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine.
What is the SMILES notation for N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine?
The canonical SMILES for N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine is CS(=O)CCNCC1CCN1.
What is the InChIKey of N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine?
The InChIKey is LXSNXTVPSMVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(10)5-4-8-6-7-2-3-9-7/h7-9H,2-6H2,1H3.
What are the key properties of N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine?
N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine has a molecular weight of 176.28 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine is sourced from PubChem (CID 84655749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).