(S)-2-methylpropane-2-sulfinamide

C4H11NOS — CID 11355477

IUPAC(S)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](N)=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1
InChIKeyCESUXLKAADQNTB-ZETCQYMHSA-N
MW121.20 g/mol
LogP0.41
Rot. Bonds

About (S)-2-methylpropane-2-sulfinamide

(S)-2-methylpropane-2-sulfinamide (PubChem CID 11355477) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (S)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methylpropane-2-sulfinamide
PubChem CID11355477
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(S)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](N)=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1
InChIKeyCESUXLKAADQNTB-ZETCQYMHSA-N
XLogP0.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-2-methylpropane-2-sulfinamide (CID 11355477) is (S)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](N)=O.
What is the InChIKey of (S)-2-methylpropane-2-sulfinamide?
The InChIKey is CESUXLKAADQNTB-ZETCQYMHSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1.
What are the key properties of (S)-2-methylpropane-2-sulfinamide?
(S)-2-methylpropane-2-sulfinamide has a molecular weight of 121.20 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11355477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).