N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide

C10H18N2O2S — CID 90204320

IUPACN-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C(C#N)NS(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)15(13)12-8(5-11)10(4)6-14-7-10/h8,12H,6-7H2,1-4H3
InChIKeyQGOKKEUHZYHYES-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.97
Rot. Bonds3

About N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide

N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 90204320) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID90204320
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC1(C(C#N)NS(=O)C(C)(C)C)COC1
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)15(13)12-8(5-11)10(4)6-14-7-10/h8,12H,6-7H2,1-4H3
InChIKeyQGOKKEUHZYHYES-UHFFFAOYSA-N
XLogP0.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide (CID 90204320) is N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide is CC1(C(C#N)NS(=O)C(C)(C)C)COC1.
What is the InChIKey of N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is QGOKKEUHZYHYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(2,3)15(13)12-8(5-11)10(4)6-14-7-10/h8,12H,6-7H2,1-4H3.
What are the key properties of N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide?
N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 230.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90204320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).