N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine

C8H17NO3S — CID 3131599

IUPACN-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
SMILESCOCCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyGLSXMAHJMNEFHZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.20
Rot. Bonds5

About N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine

N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine (PubChem CID 3131599) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
PubChem CID3131599
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
SMILESCOCCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyGLSXMAHJMNEFHZ-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine (CID 3131599) is N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine is COCCCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is GLSXMAHJMNEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-5-2-4-9-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine?
N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 207.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 3131599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).