4-(methylaminomethyl)-1,1-dioxothian-4-ol

C7H15NO3S — CID 62773519

IUPAC4-(methylaminomethyl)-1,1-dioxothian-4-ol
SMILESCNCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO3S/c1-8-6-7(9)2-4-12(10,11)5-3-7/h8-9H,2-6H2,1H3
InChIKeyOVYYTOXZYSRMOH-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.85
Rot. Bonds2

About 4-(methylaminomethyl)-1,1-dioxothian-4-ol

4-(methylaminomethyl)-1,1-dioxothian-4-ol (PubChem CID 62773519) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(methylaminomethyl)-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)-1,1-dioxothian-4-ol
PubChem CID62773519
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-(methylaminomethyl)-1,1-dioxothian-4-ol
SMILESCNCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO3S/c1-8-6-7(9)2-4-12(10,11)5-3-7/h8-9H,2-6H2,1H3
InChIKeyOVYYTOXZYSRMOH-UHFFFAOYSA-N
XLogP-0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-1,1-dioxothian-4-ol?
The IUPAC name of 4-(methylaminomethyl)-1,1-dioxothian-4-ol (CID 62773519) is 4-(methylaminomethyl)-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-(methylaminomethyl)-1,1-dioxothian-4-ol?
The canonical SMILES for 4-(methylaminomethyl)-1,1-dioxothian-4-ol is CNCC1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(methylaminomethyl)-1,1-dioxothian-4-ol?
The InChIKey is OVYYTOXZYSRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8-6-7(9)2-4-12(10,11)5-3-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-(methylaminomethyl)-1,1-dioxothian-4-ol?
4-(methylaminomethyl)-1,1-dioxothian-4-ol has a molecular weight of 193.27 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-1,1-dioxothian-4-ol is sourced from PubChem (CID 62773519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).