N,3-dimethyl-1,1-dioxothietan-3-amine

C5H11NO2S — CID 162359480

IUPACN,3-dimethyl-1,1-dioxothietan-3-amine
SMILESCNC1(C)CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-5(6-2)3-9(7,8)4-5/h6H,3-4H2,1-2H3
InChIKeyRIMBJZPNWDLLOU-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.61
Rot. Bonds1

About N,3-dimethyl-1,1-dioxothietan-3-amine

N,3-dimethyl-1,1-dioxothietan-3-amine (PubChem CID 162359480) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N,3-dimethyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-1,1-dioxothietan-3-amine
PubChem CID162359480
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN,3-dimethyl-1,1-dioxothietan-3-amine
SMILESCNC1(C)CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-5(6-2)3-9(7,8)4-5/h6H,3-4H2,1-2H3
InChIKeyRIMBJZPNWDLLOU-UHFFFAOYSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,1-dioxothietan-3-amine?
The IUPAC name of N,3-dimethyl-1,1-dioxothietan-3-amine (CID 162359480) is N,3-dimethyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N,3-dimethyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N,3-dimethyl-1,1-dioxothietan-3-amine is CNC1(C)CS(=O)(=O)C1.
What is the InChIKey of N,3-dimethyl-1,1-dioxothietan-3-amine?
The InChIKey is RIMBJZPNWDLLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(6-2)3-9(7,8)4-5/h6H,3-4H2,1-2H3.
What are the key properties of N,3-dimethyl-1,1-dioxothietan-3-amine?
N,3-dimethyl-1,1-dioxothietan-3-amine has a molecular weight of 149.22 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 162359480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).