(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine

C7H15NOS — CID 6518735

IUPAC(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC/C(=N/O)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-
InChIKeyWMNXDZQBHMQKLX-VURMDHGXSA-N
MW161.27 g/mol
LogP2.23
Rot. Bonds2

About (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine

(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 6518735) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID6518735
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC/C(=N/O)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-
InChIKeyWMNXDZQBHMQKLX-VURMDHGXSA-N
XLogP2.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.23
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-(methylsulfonyl)-, oxime
CID 9570573
2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, oxime
CID 9570574
2-Butanone, 3-(methylthio)-, oxime
CID 2794915
3,3-Dimethyl-1-(methylsulfanyl)butan-2-one oxime
CID 5361040
3-(Methylthio)butan-2-one oxime
CID 5745504
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
1-Methylthio-3,3-dimethyl-2-butanone oxime
CID 38232
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
methyl (1Z)-4-fluoro-N-hydroxy-3,3-dimethylbutanimidothioate
CID 20550964
(NZ)-N-[1-(difluoromethylsulfanyl)-3,3-dimethylbutan-2-ylidene]hydroxylamine
CID 21566526
methyl 4-fluoro-N-hydroxy-3,3-dimethylbutanimidothioate
CID 73683231

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 6518735) is (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine is CSC/C(=N/O)C(C)(C)C.
What is the InChIKey of (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is WMNXDZQBHMQKLX-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,3)6(8-9)5-10-4/h9H,5H2,1-4H3/b8-6-.
What are the key properties of (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
(NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 161.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 6518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).