4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol

C11H21NO4S — CID 61435691

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC1CCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO4S/c1-2-12(6-9-4-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyVUQVOUUYKFQAMW-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.35
Rot. Bonds4

About 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol

4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 61435691) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID61435691
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCCN(CC1CCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO4S/c1-2-12(6-9-4-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyVUQVOUUYKFQAMW-UHFFFAOYSA-N
XLogP-0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (CID 61435691) is 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is CCN(CC1CCCO1)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is VUQVOUUYKFQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-12(6-9-4-3-5-16-9)10-7-17(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 263.36 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 61435691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).