N-methyl-1,1-dioxothian-4-amine

C6H13NO2S — CID 43511407

IUPACN-methyl-1,1-dioxothian-4-amine
SMILESCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyGZCQKWYJTWFNEX-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds1

About N-methyl-1,1-dioxothian-4-amine

N-methyl-1,1-dioxothian-4-amine (PubChem CID 43511407) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxothian-4-amine
PubChem CID43511407
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-methyl-1,1-dioxothian-4-amine
SMILESCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyGZCQKWYJTWFNEX-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-methyl-1,1-dioxothian-4-amine (CID 43511407) is N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-methyl-1,1-dioxothian-4-amine is CNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-methyl-1,1-dioxothian-4-amine?
The InChIKey is GZCQKWYJTWFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N-methyl-1,1-dioxothian-4-amine?
N-methyl-1,1-dioxothian-4-amine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).