1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine

C8H18N2O2S — CID 90078049

IUPAC1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
SMILESCN1CC(NCCCS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10-6-8(7-10)9-4-3-5-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyLZPBUYZSDXDWDM-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.68
Rot. Bonds5

About 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine

1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine (PubChem CID 90078049) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
PubChem CID90078049
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
SMILESCN1CC(NCCCS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10-6-8(7-10)9-4-3-5-13(2,11)12/h8-9H,3-7H2,1-2H3
InChIKeyLZPBUYZSDXDWDM-UHFFFAOYSA-N
XLogP-0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine?
The IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine (CID 90078049) is 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine.
What is the SMILES notation for 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine?
The canonical SMILES for 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine is CN1CC(NCCCS(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine?
The InChIKey is LZPBUYZSDXDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10-6-8(7-10)9-4-3-5-13(2,11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine?
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine is sourced from PubChem (CID 90078049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).