(1,1-dioxothian-3-yl)-methylazanide

C6H12NO2S- — CID 155624716

IUPAC(1,1-dioxothian-3-yl)-methylazanide
SMILESC[N-]C1CCCS(=O)(=O)C1
InChIInChI=1S/C6H12NO2S/c1-7-6-3-2-4-10(8,9)5-6/h6H,2-5H2,1H3/q-1
InChIKeyPWOBQNCYVTZKQA-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.57
Rot. Bonds1

About (1,1-dioxothian-3-yl)-methylazanide

(1,1-dioxothian-3-yl)-methylazanide (PubChem CID 155624716) has the molecular formula C6H12NO2S- and a molecular weight of 162.23 g/mol. Its IUPAC name is (1,1-dioxothian-3-yl)-methylazanide.

Molecular Properties

Compound Name(1,1-dioxothian-3-yl)-methylazanide
PubChem CID155624716
Molecular FormulaC6H12NO2S-
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name(1,1-dioxothian-3-yl)-methylazanide
SMILESC[N-]C1CCCS(=O)(=O)C1
InChIInChI=1S/C6H12NO2S/c1-7-6-3-2-4-10(8,9)5-6/h6H,2-5H2,1H3/q-1
InChIKeyPWOBQNCYVTZKQA-UHFFFAOYSA-N
XLogP0.57
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-dioxothian-3-yl)ethanamine
CID 66436765
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-(1,1-dioxothian-3-yl)oxymethanamine
CID 105438258
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
3-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269662
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
CID 79299591
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
1-(1,1-dioxothian-3-yl)cyclohexan-1-ol
CID 115073913
2-(1,1-dioxothian-3-yl)-1-hydroxyguanidine
CID 63916146

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-3-yl)-methylazanide?
The IUPAC name of (1,1-dioxothian-3-yl)-methylazanide (CID 155624716) is (1,1-dioxothian-3-yl)-methylazanide.
What is the SMILES notation for (1,1-dioxothian-3-yl)-methylazanide?
The canonical SMILES for (1,1-dioxothian-3-yl)-methylazanide is C[N-]C1CCCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothian-3-yl)-methylazanide?
The InChIKey is PWOBQNCYVTZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2S/c1-7-6-3-2-4-10(8,9)5-6/h6H,2-5H2,1H3/q-1.
What are the key properties of (1,1-dioxothian-3-yl)-methylazanide?
(1,1-dioxothian-3-yl)-methylazanide has a molecular weight of 162.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-3-yl)-methylazanide is sourced from PubChem (CID 155624716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).