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

C10H19NO4S — CID 61432518

IUPAC4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H19NO4S/c1-11(5-8-3-2-4-15-8)9-6-16(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyKOWSIGKFYIQYFZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.74
Rot. Bonds3

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

4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 61432518) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID61432518
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCO1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H19NO4S/c1-11(5-8-3-2-4-15-8)9-6-16(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyKOWSIGKFYIQYFZ-UHFFFAOYSA-N
XLogP-0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol (CID 61432518) is 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is CN(CC1CCCO1)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is KOWSIGKFYIQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11(5-8-3-2-4-15-8)9-6-16(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol?
4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 249.33 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 61432518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).