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

C9H18ClNO3S — CID 60959882

IUPAC3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-14-7-6-11(9-3-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3
InChIKeyWIMCNHUGOFPEKZ-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds8

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

3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide (PubChem CID 60959882) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide
PubChem CID60959882
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-14-7-6-11(9-3-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3
InChIKeyWIMCNHUGOFPEKZ-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
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-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide (CID 60959882) is 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide is COCCN(C1CC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide?
The InChIKey is WIMCNHUGOFPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-14-7-6-11(9-3-4-9)15(12,13)8-2-5-10/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide?
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 60959882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).