N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide

C11H24ClNO3S — CID 55186706

IUPACN-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)CCCOC
InChIInChI=1S/C11H24ClNO3S/c1-4-11(5-2)13(8-7-12)17(14,15)10-6-9-16-3/h11H,4-10H2,1-3H3
InChIKeyDQAINXGZWDIMFQ-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.08
Rot. Bonds10

About N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide

N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide (PubChem CID 55186706) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
PubChem CID55186706
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC NameN-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)CCCOC
InChIInChI=1S/C11H24ClNO3S/c1-4-11(5-2)13(8-7-12)17(14,15)10-6-9-16-3/h11H,4-10H2,1-3H3
InChIKeyDQAINXGZWDIMFQ-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide (CID 55186706) is N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide is CCC(CC)N(CCCl)S(=O)(=O)CCCOC.
What is the InChIKey of N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide?
The InChIKey is DQAINXGZWDIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-4-11(5-2)13(8-7-12)17(14,15)10-6-9-16-3/h11H,4-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide?
N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 2.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-methoxy-N-pentan-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 55186706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).