(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine

C5H9NO3S — CID 63924457

IUPAC(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine
SMILESO=S1(=O)CCC/C(=N\O)C1
InChIInChI=1S/C5H9NO3S/c7-6-5-2-1-3-10(8,9)4-5/h7H,1-4H2/b6-5+
InChIKeyMCEIHNRBKCESCU-AATRIKPKSA-N
MW163.20 g/mol
LogP0.03
Rot. Bonds

About (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine

(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine (PubChem CID 63924457) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine
PubChem CID63924457
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine
SMILESO=S1(=O)CCC/C(=N\O)C1
InChIInChI=1S/C5H9NO3S/c7-6-5-2-1-3-10(8,9)4-5/h7H,1-4H2/b6-5+
InChIKeyMCEIHNRBKCESCU-AATRIKPKSA-N
XLogP0.03
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.03
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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Related Compounds

(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine
CID 135052201
1-(Propane-1-sulfonyl)propan-2-one oxime
CID 145864255
3-(Hydroxyimino)-2,4,5-trihydrothiophene-1,1-dione
CID 5875463
4-(Hydroxyimino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 523229
(NE)-N-[1-(1,1-dioxothiolan-2-yl)ethylidene]hydroxylamine
CID 13772624
1,1-Dioxothian-4-imine
CID 68177567
N,N'-Thiane-3,5-diylidenedihydroxylamine
CID 71327622
N-[1-(1,1-dioxothiolan-2-yl)ethylidene]hydroxylamine
CID 85526016
(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine
CID 89224821
N-(3-methylsulfonylbutan-2-ylidene)hydroxylamine
CID 129914245
N-(2,2-dimethyl-1,1-dioxothian-3-ylidene)hydroxylamine
CID 169259013
N-(2-methyl-1,1-dioxothian-3-ylidene)hydroxylamine
CID 169259066

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine (CID 63924457) is (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine is O=S1(=O)CCC/C(=N\O)C1.
What is the InChIKey of (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine?
The InChIKey is MCEIHNRBKCESCU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-6-5-2-1-3-10(8,9)4-5/h7H,1-4H2/b6-5+.
What are the key properties of (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine?
(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine has a molecular weight of 163.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine is sourced from PubChem (CID 63924457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).