N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine

C6H13NOS — CID 71352723

IUPACN-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC(C)(C)C(C)=NO
InChIInChI=1S/C6H13NOS/c1-5(7-8)6(2,3)9-4/h8H,1-4H3
InChIKeyOKNAUWWGLZXHGZ-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds2

About N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine

N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 71352723) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID71352723
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC(C)(C)C(C)=NO
InChIInChI=1S/C6H13NOS/c1-5(7-8)6(2,3)9-4/h8H,1-4H3
InChIKeyOKNAUWWGLZXHGZ-UHFFFAOYSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(3R,4E)-4-hydroxyimino-2,2,3-trimethylpentan-3-ol
CID 98524716
(NE)-N-[3-methyl-3-(methylamino)butan-2-ylidene]hydroxylamine
CID 6989523
2-methyl-2-methylsulfanylpropanamide
CID 21150551
N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
CID 15436
(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
(NE)-N-(3-methoxy-3-methylpentan-2-ylidene)hydroxylamine
CID 10606878
N-[3-methyl-3-(propylamino)butan-2-ylidene]hydroxylamine
CID 74050975
N-[3-[4-[(3-hydroxyimino-2-methylbutan-2-yl)amino]butylamino]-3-methylbutan-2-ylidene]hydroxylamine;hydrochloride
CID 163408611
N-[4-(2-aminoethoxy)-3,3-dimethylbutan-2-ylidene]hydroxylamine
CID 142657532
dimethyl (1E,2Z)-N,N'-dihydroxyethanediimidothioate
CID 136866772
dimethyl N,N'-dihydroxyethanediimidothioate
CID 135492735
N-(3-methyl-3-methylsulfanylbutylidene)hydroxylamine
CID 76529630

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 71352723) is N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine is CSC(C)(C)C(C)=NO.
What is the InChIKey of N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is OKNAUWWGLZXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(7-8)6(2,3)9-4/h8H,1-4H3.
What are the key properties of N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine?
N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 71352723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).