N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine

C6H11NO3S — CID 169259066

IUPACN-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine
SMILESCC1C(=NO)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5-6(7-8)3-2-4-11(5,9)10/h5,8H,2-4H2,1H3
InChIKeyOAQHAEJAMMZCJN-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.41
Rot. Bonds

About N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine

N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine (PubChem CID 169259066) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine
PubChem CID169259066
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine
SMILESCC1C(=NO)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S/c1-5-6(7-8)3-2-4-11(5,9)10/h5,8H,2-4H2,1H3
InChIKeyOAQHAEJAMMZCJN-UHFFFAOYSA-N
XLogP0.41
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine (CID 169259066) is N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine is CC1C(=NO)CCCS1(=O)=O.
What is the InChIKey of N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine?
The InChIKey is OAQHAEJAMMZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-5-6(7-8)3-2-4-11(5,9)10/h5,8H,2-4H2,1H3.
What are the key properties of N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine?
N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine has a molecular weight of 177.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine is sourced from PubChem (CID 169259066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).