N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine

C6H13NO2S — CID 173447725

IUPACN-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
SMILESCS(=O)C(C)(C)CC=NO
InChIInChI=1S/C6H13NO2S/c1-6(2,10(3)9)4-5-7-8/h5,8H,4H2,1-3H3
InChIKeyBENTUXUCOUFFIA-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.99
Rot. Bonds3

About N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine

N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine (PubChem CID 173447725) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
PubChem CID173447725
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
SMILESCS(=O)C(C)(C)CC=NO
InChIInChI=1S/C6H13NO2S/c1-6(2,10(3)9)4-5-7-8/h5,8H,4H2,1-3H3
InChIKeyBENTUXUCOUFFIA-UHFFFAOYSA-N
XLogP0.99
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.99
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'}

Analyze N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
CID 5367981
N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
CID 76529630
(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
CID 88709290
2-methyl-2-methylsulfinylhexane
CID 89314102
N-[2-[tert-butyl(dimethyl)silyl]ethylidene]hydroxylamine
CID 142327244
N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
CID 159737053
tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
CID 163398675
N-[2-(methylamino)ethylidene]hydroxylamine
CID 76588965
N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
CID 173396921
(5Z)-5-hydroxyimino-2-methyl-2-methylsulfonylpentanoic acid
CID 121392972
3-hydroxyiminopropanoic acid
CID 71373854
5-methyl-5-sulfinohex-2-enoic acid
CID 175138177

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine (CID 173447725) is N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine is CS(=O)C(C)(C)CC=NO.
What is the InChIKey of N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine?
The InChIKey is BENTUXUCOUFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2,10(3)9)4-5-7-8/h5,8H,4H2,1-3H3.
What are the key properties of N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine?
N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine has a molecular weight of 163.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine is sourced from PubChem (CID 173447725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).