N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine

C5H11NOS — CID 15436

IUPACN-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
SMILESCSC(C)(C)C=NO
InChIInChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3
InChIKeyZFGMCJAXIZTVJA-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.59
Rot. Bonds2

About N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine

N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine (PubChem CID 15436) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
PubChem CID15436
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
SMILESCSC(C)(C)C=NO
InChIInChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3
InChIKeyZFGMCJAXIZTVJA-UHFFFAOYSA-N
XLogP1.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
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

N-(2-amino-2-methylpropylidene)hydroxylamine
CID 5151005
N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
CID 76529630
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;urea
CID 87086671
[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate
CID 54003718
N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 71352723
(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
CID 5367981
N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide
CID 135603899
N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine
CID 170051513
N-ethylidenehydroxylamine
CID 157067638
azepan-2-one;[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate
CID 88661345
2-hydroxy-1-hydroxyimino-2-methylpentan-3-one
CID 141444233
2-methoxy-2-methylsulfanylpropane
CID 22975969

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine (CID 15436) is N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine is CSC(C)(C)C=NO.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine?
The InChIKey is ZFGMCJAXIZTVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine?
N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine has a molecular weight of 133.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine is sourced from PubChem (CID 15436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).