3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide

C10H20ClNO3S — CID 61433679

IUPAC3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-12(16(13,14)8-4-6-11)9-10-5-2-3-7-15-10/h10H,2-9H2,1H3
InChIKeyYWVNDZASMFYXIZ-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.45
Rot. Bonds6

About 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide

3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide (PubChem CID 61433679) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide
PubChem CID61433679
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-12(16(13,14)8-4-6-11)9-10-5-2-3-7-15-10/h10H,2-9H2,1H3
InChIKeyYWVNDZASMFYXIZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.45
H-Bond Donors ≤ 50
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-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide (CID 61433679) is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide is CN(CC1CCCCO1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is YWVNDZASMFYXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-12(16(13,14)8-4-6-11)9-10-5-2-3-7-15-10/h10H,2-9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 61433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).