N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine

C7H15NOS2 — CID 86102189

IUPACN-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine
SMILESCSCC(CSC)C(C)=NO
InChIInChI=1S/C7H15NOS2/c1-6(8-9)7(4-10-2)5-11-3/h7,9H,4-5H2,1-3H3
InChIKeyFLXZDWMSAVYZJY-UHFFFAOYSA-N
MW193.34 g/mol
LogP2.18
Rot. Bonds5

About N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine

N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine (PubChem CID 86102189) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine
PubChem CID86102189
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameN-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine
SMILESCSCC(CSC)C(C)=NO
InChIInChI=1S/C7H15NOS2/c1-6(8-9)7(4-10-2)5-11-3/h7,9H,4-5H2,1-3H3
InChIKeyFLXZDWMSAVYZJY-UHFFFAOYSA-N
XLogP2.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3,3-Bis(methylthio)butan-2-one oxime
CID 6366532
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
2-(a-Oximinoethyl)-2-methylthiirane
CID 12956327
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
3-Methyl-5-thiahexan-2-one oxime
CID 86102188

Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine (CID 86102189) is N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine is CSCC(CSC)C(C)=NO.
What is the InChIKey of N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine?
The InChIKey is FLXZDWMSAVYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-6(8-9)7(4-10-2)5-11-3/h7,9H,4-5H2,1-3H3.
What are the key properties of N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine?
N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine has a molecular weight of 193.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 86102189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).