N-(1,1-dioxothiolan-2-yl)oxymethanamine

C5H11NO3S — CID 117126714

IUPACN-(1,1-dioxothiolan-2-yl)oxymethanamine
SMILESCNOC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO3S/c1-6-9-5-3-2-4-10(5,7)8/h5-6H,2-4H2,1H3
InChIKeyIAAGQWIRNAPQQQ-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.33
Rot. Bonds2

About N-(1,1-dioxothiolan-2-yl)oxymethanamine

N-(1,1-dioxothiolan-2-yl)oxymethanamine (PubChem CID 117126714) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-2-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-2-yl)oxymethanamine
PubChem CID117126714
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-(1,1-dioxothiolan-2-yl)oxymethanamine
SMILESCNOC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO3S/c1-6-9-5-3-2-4-10(5,7)8/h5-6H,2-4H2,1H3
InChIKeyIAAGQWIRNAPQQQ-UHFFFAOYSA-N
XLogP-0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.33
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-(1,1-dioxothian-3-yl)oxymethanamine
CID 105438258
(1,1-dioxothiolan-2-yl) 2,2-dimethylbutanoate
CID 153448807
N-cyclopentyloxymethanamine;hydrochloride
CID 87281820
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane
CID 66920159
N-(1,1-dioxothiolan-2-yl)ethanesulfonamide
CID 151625177
(1,1-dioxothiolan-2-yl)methyl methanesulfonate
CID 146441865
CID 137241968
CID 137241968
8-[(1,1-dioxothiolan-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81040614
1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
CID 105008079
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
CID 81100896

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-2-yl)oxymethanamine?
The IUPAC name of N-(1,1-dioxothiolan-2-yl)oxymethanamine (CID 117126714) is N-(1,1-dioxothiolan-2-yl)oxymethanamine.
What is the SMILES notation for N-(1,1-dioxothiolan-2-yl)oxymethanamine?
The canonical SMILES for N-(1,1-dioxothiolan-2-yl)oxymethanamine is CNOC1CCCS1(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-2-yl)oxymethanamine?
The InChIKey is IAAGQWIRNAPQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-6-9-5-3-2-4-10(5,7)8/h5-6H,2-4H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-2-yl)oxymethanamine?
N-(1,1-dioxothiolan-2-yl)oxymethanamine has a molecular weight of 165.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-2-yl)oxymethanamine is sourced from PubChem (CID 117126714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).