N-(1,1-dioxothian-3-yl)oxymethanamine

C6H13NO3S — CID 105438258

IUPACN-(1,1-dioxothian-3-yl)oxymethanamine
SMILESCNOC1CCCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-7-10-6-3-2-4-11(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyGQFZETPAJUHDEA-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.29
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)oxymethanamine

N-(1,1-dioxothian-3-yl)oxymethanamine (PubChem CID 105438258) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)oxymethanamine
PubChem CID105438258
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-(1,1-dioxothian-3-yl)oxymethanamine
SMILESCNOC1CCCS(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-7-10-6-3-2-4-11(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyGQFZETPAJUHDEA-UHFFFAOYSA-N
XLogP-0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxymethanamine;hydrochloride
CID 87281820
N-(1,1-dioxothiolan-2-yl)oxymethanamine
CID 117126714
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide
CID 171608483
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
CID 79299591
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(1,1-dioxothian-3-yl)-methylazanide
CID 155624716
N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
CID 83201861
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)oxymethanamine?
The IUPAC name of N-(1,1-dioxothian-3-yl)oxymethanamine (CID 105438258) is N-(1,1-dioxothian-3-yl)oxymethanamine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)oxymethanamine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)oxymethanamine is CNOC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)oxymethanamine?
The InChIKey is GQFZETPAJUHDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-7-10-6-3-2-4-11(8,9)5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(1,1-dioxothian-3-yl)oxymethanamine?
N-(1,1-dioxothian-3-yl)oxymethanamine has a molecular weight of 179.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)oxymethanamine is sourced from PubChem (CID 105438258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).