N,N-diethyl-1,1-dioxothiolan-3-amine

C8H17NO2S — CID 2835678

IUPACN,N-diethyl-1,1-dioxothiolan-3-amine
SMILESCCN(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-3-9(4-2)8-5-6-12(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyUWCZTGHNTULPMO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.52
Rot. Bonds3

About N,N-diethyl-1,1-dioxothiolan-3-amine

N,N-diethyl-1,1-dioxothiolan-3-amine (PubChem CID 2835678) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N,N-diethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-dioxothiolan-3-amine
PubChem CID2835678
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN,N-diethyl-1,1-dioxothiolan-3-amine
SMILESCCN(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO2S/c1-3-9(4-2)8-5-6-12(10,11)7-8/h8H,3-7H2,1-2H3
InChIKeyUWCZTGHNTULPMO-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N,N-diethyl-1,1-dioxothiolan-3-amine (CID 2835678) is N,N-diethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N,N-diethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N,N-diethyl-1,1-dioxothiolan-3-amine is CCN(CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N,N-diethyl-1,1-dioxothiolan-3-amine?
The InChIKey is UWCZTGHNTULPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-9(4-2)8-5-6-12(10,11)7-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-1,1-dioxothiolan-3-amine?
N,N-diethyl-1,1-dioxothiolan-3-amine has a molecular weight of 191.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 2835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).