[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol

C9H20N2O3S — CID 63165906

IUPAC[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol
SMILESCN(C)CCNC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O3S/c1-11(2)5-4-10-9(7-12)3-6-15(13,14)8-9/h10,12H,3-8H2,1-2H3
InChIKeyGYYYUAYPDXSLCU-UHFFFAOYSA-N
MW236.34 g/mol
LogP-1.31
Rot. Bonds5

About [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol

[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol (PubChem CID 63165906) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol
PubChem CID63165906
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol
SMILESCN(C)CCNC1(CO)CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O3S/c1-11(2)5-4-10-9(7-12)3-6-15(13,14)8-9/h10,12H,3-8H2,1-2H3
InChIKeyGYYYUAYPDXSLCU-UHFFFAOYSA-N
XLogP-1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol (CID 63165906) is [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol is CN(C)CCNC1(CO)CCS(=O)(=O)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol?
The InChIKey is GYYYUAYPDXSLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11(2)5-4-10-9(7-12)3-6-15(13,14)8-9/h10,12H,3-8H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol?
[3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol has a molecular weight of 236.34 g/mol, XLogP of -1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-yl]methanol is sourced from PubChem (CID 63165906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).