3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide

C10H22ClNO3S — CID 60958478

IUPAC3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11/h10H,4-9H2,1-3H3
InChIKeyTVVMOTKRBZXMMZ-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.55
Rot. Bonds9

About 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide

3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 60958478) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID60958478
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11/h10H,4-9H2,1-3H3
InChIKeyTVVMOTKRBZXMMZ-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.55
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-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide (CID 60958478) is 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide is COCCN(CC(C)C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is TVVMOTKRBZXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-10(2)9-12(6-7-15-3)16(13,14)8-4-5-11/h10H,4-9H2,1-3H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide?
3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 60958478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).