N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

C9H20N2OS — CID 71288239

IUPACN-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CNC1
InChIInChI=1S/C9H20N2OS/c1-7(8-5-10-6-8)11-13(12)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyLJEOIVZNMFXSQT-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.65
Rot. Bonds3

About N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 71288239) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID71288239
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CNC1
InChIInChI=1S/C9H20N2OS/c1-7(8-5-10-6-8)11-13(12)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyLJEOIVZNMFXSQT-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 71288239) is N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1CNC1.
What is the InChIKey of N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LJEOIVZNMFXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(8-5-10-6-8)11-13(12)9(2,3)4/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 204.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71288239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).