N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

C6H13NOS — CID 86102188

IUPACN-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)C(C)=NO
InChIInChI=1S/C6H13NOS/c1-5(4-9-3)6(2)7-8/h5,8H,4H2,1-3H3
InChIKeyYXAKBJKUXPRMKZ-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.84
Rot. Bonds3

About N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 86102188) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID86102188
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)C(C)=NO
InChIInChI=1S/C6H13NOS/c1-5(4-9-3)6(2)7-8/h5,8H,4H2,1-3H3
InChIKeyYXAKBJKUXPRMKZ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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
2-Butanone, 3-(methylthio)-, oxime
CID 2794915
3,3-Dimethyl-1-(methylsulfanyl)butan-2-one oxime
CID 5361040
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
1-Methylthio-3,3-dimethyl-2-butanone oxime
CID 38232
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 86102188) is N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is CSCC(C)C(C)=NO.
What is the InChIKey of N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is YXAKBJKUXPRMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(4-9-3)6(2)7-8/h5,8H,4H2,1-3H3.
What are the key properties of N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 86102188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).