N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine

C7H13NOS2 — CID 154099304

IUPACN-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1(C)SCC(C)S1
InChIInChI=1S/C7H13NOS2/c1-5-4-10-7(3,11-5)6(2)8-9/h5,9H,4H2,1-3H3
InChIKeyIWUXHDHULZIWLN-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds1

About N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine

N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine (PubChem CID 154099304) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
PubChem CID154099304
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC NameN-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1(C)SCC(C)S1
InChIInChI=1S/C7H13NOS2/c1-5-4-10-7(3,11-5)6(2)8-9/h5,9H,4H2,1-3H3
InChIKeyIWUXHDHULZIWLN-UHFFFAOYSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.42
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

2-Butanone, 3-(methylthio)-, oxime
CID 2794915
1,3-Dithian-5-one, 2-methyl-, oxime
CID 301031
3,3-Bis(methylthio)butan-2-one oxime
CID 6366532
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Tetrahydrothiophen-3-oneoxime
CID 5708827
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
2-Butanone, 1-(methylthio)-, oxime
CID 3016057
3,3-Bis(methylthio)-2-butanone oxime
CID 3024278

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine (CID 154099304) is N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine is CC(=NO)C1(C)SCC(C)S1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
The InChIKey is IWUXHDHULZIWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-5-4-10-7(3,11-5)6(2)8-9/h5,9H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine?
N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine has a molecular weight of 191.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 154099304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).