3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol

C8H17NO3S — CID 43410637

IUPAC3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-9(4-2-5-10)8-3-6-13(11,12)7-8/h8,10H,2-7H2,1H3
InChIKeyVBLCPDVTMLAJAU-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds4

About 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol

3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol (PubChem CID 43410637) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol
PubChem CID43410637
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-9(4-2-5-10)8-3-6-13(11,12)7-8/h8,10H,2-7H2,1H3
InChIKeyVBLCPDVTMLAJAU-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol (CID 43410637) is 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol is CN(CCCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol?
The InChIKey is VBLCPDVTMLAJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9(4-2-5-10)8-3-6-13(11,12)7-8/h8,10H,2-7H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol?
3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 43410637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).