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

C₇H₁₄ClNO₃S — CID 64630200

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 Name: 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
• PubChem CID: 64630200
• Molecular Formula: C₇H₁₄ClNO₃S
• Molecular Weight: 227.71 g/mol
• Exact Mass: 227.04
• IUPAC Name: 3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
• SMILES: CC(CS(C)(=O)=O)NC(=O)CCCl
• InChI: InChI=1S/C7H14ClNO3S/c1-6(5-13(2,11)12)9-7(10)3-4-8/h6H,3-5H2,1-2H3,(H,9,10)
• InChIKey: HGEIOTCUIZSEHM-UHFFFAOYSA-N
• XLogP: 0.16
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.71
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 64630200 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.