propane-2-sulfinamide

C3H9NOS — CID 54439398

IUPACpropane-2-sulfinamide
SMILESCC(C)S(N)=O
InChIInChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3
InChIKeyLFILDSDQMSCNBV-UHFFFAOYSA-N
MW107.18 g/mol
LogP0.02
Rot. Bonds1

About propane-2-sulfinamide

propane-2-sulfinamide (PubChem CID 54439398) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is propane-2-sulfinamide.

Molecular Properties

Compound Namepropane-2-sulfinamide
PubChem CID54439398
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC Namepropane-2-sulfinamide
SMILESCC(C)S(N)=O
InChIInChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3
InChIKeyLFILDSDQMSCNBV-UHFFFAOYSA-N
XLogP0.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane-2-sulfinamide?
The IUPAC name of propane-2-sulfinamide (CID 54439398) is propane-2-sulfinamide.
What is the SMILES notation for propane-2-sulfinamide?
The canonical SMILES for propane-2-sulfinamide is CC(C)S(N)=O.
What is the InChIKey of propane-2-sulfinamide?
The InChIKey is LFILDSDQMSCNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-3(2)6(4)5/h3H,4H2,1-2H3.
What are the key properties of propane-2-sulfinamide?
propane-2-sulfinamide has a molecular weight of 107.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfinamide is sourced from PubChem (CID 54439398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).