(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide

C8H14N2O2S — CID 124585701

IUPAC(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1(C#N)COC1
InChIInChI=1S/C8H14N2O2S/c1-7(2,3)13(11)10-8(4-9)5-12-6-8/h10H,5-6H2,1-3H3/t13-/m0/s1
InChIKeyIJHQPIWMCKRZMA-ZDUSSCGKSA-N
MW202.28 g/mol
LogP0.33
Rot. Bonds2

About (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide

(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide (PubChem CID 124585701) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide
PubChem CID124585701
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1(C#N)COC1
InChIInChI=1S/C8H14N2O2S/c1-7(2,3)13(11)10-8(4-9)5-12-6-8/h10H,5-6H2,1-3H3/t13-/m0/s1
InChIKeyIJHQPIWMCKRZMA-ZDUSSCGKSA-N
XLogP0.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(S)-cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide
CID 129389859
(R)-2-methyl-N-(4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)propane-2-sulfinamide
CID 151922586
methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate
CID 129410526
2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide
CID 101494836
(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 176651060
N-[3-(4-bromo-2-chlorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 130407805
N-[3-(3-chloro-2-fluorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 86673868
2-[3-(tert-butylsulfinylamino)oxetan-3-yl]thiophene-3-carboxylic acid
CID 169025877
2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
CID 166160366
N-(3-cyanooxolan-3-yl)formamide
CID 164551035
N-[(3R,4S)-7-bromo-4-cyano-3,8-difluoro-2,3-dihydrochromen-4-yl]-2-methylpropane-2-sulfinamide
CID 166499732
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874610

Frequently Asked Questions

What is the IUPAC name of (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide (CID 124585701) is (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NC1(C#N)COC1.
What is the InChIKey of (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is IJHQPIWMCKRZMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-7(2,3)13(11)10-8(4-9)5-12-6-8/h10H,5-6H2,1-3H3/t13-/m0/s1.
What are the key properties of (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide?
(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 202.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124585701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).