N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide

C8H17NO4S — CID 62734810

IUPACN-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H17NO4S/c1-12-6-4-9-14(10,11)7-8-3-2-5-13-8/h8-9H,2-7H2,1H3
InChIKeyCZLAORQKEZCFQE-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.27
Rot. Bonds6

About N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62734810) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62734810
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H17NO4S/c1-12-6-4-9-14(10,11)7-8-3-2-5-13-8/h8-9H,2-7H2,1H3
InChIKeyCZLAORQKEZCFQE-UHFFFAOYSA-N
XLogP-0.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 62734810) is N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide is COCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is CZLAORQKEZCFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-12-6-4-9-14(10,11)7-8-3-2-5-13-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62734810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).