N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine

C6H11NOS2 — CID 154138934

IUPACN-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine
SMILESCSC1(C)CSCC1=NO
InChIInChI=1S/C6H11NOS2/c1-6(9-2)4-10-3-5(6)7-8/h8H,3-4H2,1-2H3
InChIKeyCGJYTHKTPLBVRH-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.69
Rot. Bonds1

About N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine

N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine (PubChem CID 154138934) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine
PubChem CID154138934
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC NameN-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine
SMILESCSC1(C)CSCC1=NO
InChIInChI=1S/C6H11NOS2/c1-6(9-2)4-10-3-5(6)7-8/h8H,3-4H2,1-2H3
InChIKeyCGJYTHKTPLBVRH-UHFFFAOYSA-N
XLogP1.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.69
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

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CID 5708827
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1,1-Bis(methylthiomethyl)propan-2-one oxime
CID 86102189
Tetrahydrothiophen-3-one oxime
CID 2777413
(NE)-N-(thiolan-3-ylidene)hydroxylamine
CID 5875647
(NE)-N-(4-ethylsulfanylbutan-2-ylidene)hydroxylamine
CID 22562175
4-Ethylsulfanyl-butan-2-one oxime
CID 73991919
N-[1-(2-methyl-1,3-dithiolan-2-yl)ethylidene]hydroxylamine
CID 85784016
N-(2-methylthiolan-3-ylidene)hydroxylamine
CID 108425287
N-(2-propan-2-ylthiolan-3-ylidene)hydroxylamine
CID 141030994
ethane;(NZ)-N-(thiolan-3-ylidene)hydroxylamine
CID 142872841
N-[1-(2-ethyl-1,3-dithiolan-2-yl)propylidene]hydroxylamine
CID 154097623

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine?
The IUPAC name of N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine (CID 154138934) is N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine is CSC1(C)CSCC1=NO.
What is the InChIKey of N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine?
The InChIKey is CGJYTHKTPLBVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-6(9-2)4-10-3-5(6)7-8/h8H,3-4H2,1-2H3.
What are the key properties of N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine?
N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine has a molecular weight of 177.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-methylsulfanylthiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 154138934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).