1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide

C8H16ClNO3S — CID 63666437

IUPAC1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-2-10(14(11,12)7-9)6-8-4-3-5-13-8/h8H,2-7H2,1H3
InChIKeyXYLTXIZLTHZPDO-UHFFFAOYSA-N
MW241.74 g/mol
LogP1.01
Rot. Bonds5

About 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide

1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 63666437) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID63666437
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-2-10(14(11,12)7-9)6-8-4-3-5-13-8/h8H,2-7H2,1H3
InChIKeyXYLTXIZLTHZPDO-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.01
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 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 63666437) is 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide is CCN(CC1CCCO1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is XYLTXIZLTHZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-2-10(14(11,12)7-9)6-8-4-3-5-13-8/h8H,2-7H2,1H3.
What are the key properties of 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63666437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).