N-(1-methylsulfonylpropyl)formamide

C5H11NO3S — CID 173099932

IUPACN-(1-methylsulfonylpropyl)formamide
SMILESCCC(NC=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyJNWKUTGDQSEGFW-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.49
Rot. Bonds4

About N-(1-methylsulfonylpropyl)formamide

N-(1-methylsulfonylpropyl)formamide (PubChem CID 173099932) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-(1-methylsulfonylpropyl)formamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropyl)formamide
PubChem CID173099932
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-(1-methylsulfonylpropyl)formamide
SMILESCCC(NC=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3,(H,6,7)
InChIKeyJNWKUTGDQSEGFW-UHFFFAOYSA-N
XLogP-0.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylsulfonylpropyl)formamide?
The IUPAC name of N-(1-methylsulfonylpropyl)formamide (CID 173099932) is N-(1-methylsulfonylpropyl)formamide.
What is the SMILES notation for N-(1-methylsulfonylpropyl)formamide?
The canonical SMILES for N-(1-methylsulfonylpropyl)formamide is CCC(NC=O)S(C)(=O)=O.
What is the InChIKey of N-(1-methylsulfonylpropyl)formamide?
The InChIKey is JNWKUTGDQSEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3,(H,6,7).
What are the key properties of N-(1-methylsulfonylpropyl)formamide?
N-(1-methylsulfonylpropyl)formamide has a molecular weight of 165.21 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropyl)formamide is sourced from PubChem (CID 173099932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).