N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine

C6H11NOS — CID 154102160

IUPACN-(4,4-dimethylthiolan-3-ylidene)hydroxylamine
SMILESCC1(C)CSCC1=NO
InChIInChI=1S/C6H11NOS/c1-6(2)4-9-3-5(6)7-8/h8H,3-4H2,1-2H3
InChIKeyKUGUEICQHRGIMB-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.59
Rot. Bonds

About N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine

N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine (PubChem CID 154102160) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,4-dimethylthiolan-3-ylidene)hydroxylamine
PubChem CID154102160
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(4,4-dimethylthiolan-3-ylidene)hydroxylamine
SMILESCC1(C)CSCC1=NO
InChIInChI=1S/C6H11NOS/c1-6(2)4-9-3-5(6)7-8/h8H,3-4H2,1-2H3
InChIKeyKUGUEICQHRGIMB-UHFFFAOYSA-N
XLogP1.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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, 3,3-dimethyl-1-(methylthio)-, oxime
CID 6518735
3,3-Dimethyl-1-(methylsulfanyl)butan-2-one oxime
CID 5361040
1-Methylthio-3,3-dimethyl-2-butanone oxime
CID 38232
3,3-Dimethyl-4-fluoro-1-methylthio-2-hydroximino-butane
CID 88751484
(NE)-N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 88811281
N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 88811282
(NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 173438857
N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 85805064
(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88779399
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

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine?
The IUPAC name of N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine (CID 154102160) is N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine is CC1(C)CSCC1=NO.
What is the InChIKey of N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine?
The InChIKey is KUGUEICQHRGIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-6(2)4-9-3-5(6)7-8/h8H,3-4H2,1-2H3.
What are the key properties of N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine?
N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine has a molecular weight of 145.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylthiolan-3-ylidene)hydroxylamine is sourced from PubChem (CID 154102160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).