N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide

C9H19NO5S2 — CID 62086021

IUPACN-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO5S2/c1-2-10(5-6-11)17(14,15)9-3-7-16(12,13)8-4-9/h9,11H,2-8H2,1H3
InChIKeySKFJWOLKOXYTOB-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.79
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide

N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62086021) has the molecular formula C9H19NO5S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62086021
Molecular FormulaC9H19NO5S2
Molecular Weight285.39 g/mol
Exact Mass285.07
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCN(CCO)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO5S2/c1-2-10(5-6-11)17(14,15)9-3-7-16(12,13)8-4-9/h9,11H,2-8H2,1H3
InChIKeySKFJWOLKOXYTOB-UHFFFAOYSA-N
XLogP-0.79
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide (CID 62086021) is N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide is CCN(CCO)S(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is SKFJWOLKOXYTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S2/c1-2-10(5-6-11)17(14,15)9-3-7-16(12,13)8-4-9/h9,11H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62086021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).