3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide

C7H14ClNO3S — CID 64630200

IUPAC3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
SMILESCC(CS(C)(=O)=O)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO3S/c1-6(5-13(2,11)12)9-7(10)3-4-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHGEIOTCUIZSEHM-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.16
Rot. Bonds5

About 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide

3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide (PubChem CID 64630200) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
PubChem CID64630200
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
SMILESCC(CS(C)(=O)=O)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO3S/c1-6(5-13(2,11)12)9-7(10)3-4-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHGEIOTCUIZSEHM-UHFFFAOYSA-N
XLogP0.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide (CID 64630200) is 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide is CC(CS(C)(=O)=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide?
The InChIKey is HGEIOTCUIZSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-6(5-13(2,11)12)9-7(10)3-4-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide?
3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide has a molecular weight of 227.71 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide is sourced from PubChem (CID 64630200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).