N-(1-methylsulfinylpropyl)formamide

C5H11NO2S — CID 173099513

IUPACN-(1-methylsulfinylpropyl)formamide
SMILESCCC(NC=O)S(C)=O
InChIInChI=1S/C5H11NO2S/c1-3-5(6-4-7)9(2)8/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyWORKAGCKAOWGER-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.15
Rot. Bonds4

About N-(1-methylsulfinylpropyl)formamide

N-(1-methylsulfinylpropyl)formamide (PubChem CID 173099513) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-(1-methylsulfinylpropyl)formamide.

Molecular Properties

Compound NameN-(1-methylsulfinylpropyl)formamide
PubChem CID173099513
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-(1-methylsulfinylpropyl)formamide
SMILESCCC(NC=O)S(C)=O
InChIInChI=1S/C5H11NO2S/c1-3-5(6-4-7)9(2)8/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyWORKAGCKAOWGER-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfinylpropyl)formamide?
The IUPAC name of N-(1-methylsulfinylpropyl)formamide (CID 173099513) is N-(1-methylsulfinylpropyl)formamide.
What is the SMILES notation for N-(1-methylsulfinylpropyl)formamide?
The canonical SMILES for N-(1-methylsulfinylpropyl)formamide is CCC(NC=O)S(C)=O.
What is the InChIKey of N-(1-methylsulfinylpropyl)formamide?
The InChIKey is WORKAGCKAOWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-5(6-4-7)9(2)8/h4-5H,3H2,1-2H3,(H,6,7).
What are the key properties of N-(1-methylsulfinylpropyl)formamide?
N-(1-methylsulfinylpropyl)formamide has a molecular weight of 149.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfinylpropyl)formamide is sourced from PubChem (CID 173099513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).