N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine

C6H13NOS — CID 76529630

IUPACN-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
SMILESCSC(C)(C)CC=NO
InChIInChI=1S/C6H13NOS/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3
InChIKeyACPHOOFHCLADTI-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds3

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

N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine (PubChem CID 76529630) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
PubChem CID76529630
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
SMILESCSC(C)(C)CC=NO
InChIInChI=1S/C6H13NOS/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3
InChIKeyACPHOOFHCLADTI-UHFFFAOYSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
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

(NE)-N-(3-methoxy-3-methylbutylidene)hydroxylamine
CID 88709290
N-(3-methyl-3-methylsulfinylbutylidene)hydroxylamine
CID 173447725
N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
CID 15436
(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
CID 15926133
2-(4-chlorophenyl)-4-hydroxyiminobutan-2-ol
CID 155738906
N-[2-[tert-butyl(dimethyl)silyl]ethylidene]hydroxylamine
CID 142327244
N-[3-methyl-3-(3-methylbut-2-enylideneamino)oxybutylidene]hydroxylamine
CID 159737053
N-[2-(methylamino)ethylidene]hydroxylamine
CID 76588965
N-[4-(3,4-dichlorophenyl)-3,3-dimethylbutylidene]hydroxylamine
CID 173396921
4-(N'-hydroxycarbamimidoyl)-N-(2-methyl-2-methylsulfanylpropyl)oxane-4-carboxamide
CID 104864549
ethyl N-[N-hydroxy-C-(2-methyl-2-methylsulfanylpropyl)carbonimidoyl]-N-methylcarbamate
CID 173327187
(NE)-N-[(5Z)-5-hydroxyiminopentylidene]hydroxylamine
CID 5356166

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine (CID 76529630) is N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine is CSC(C)(C)CC=NO.
What is the InChIKey of N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine?
The InChIKey is ACPHOOFHCLADTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(2,9-3)4-5-7-8/h5,8H,4H2,1-3H3.
What are the key properties of N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine?
N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 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-methylsulfanylbutylidene)hydroxylamine is sourced from PubChem (CID 76529630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).