(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine

C10H21NOS — CID 88779399

IUPAC(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)SC/C(=N/O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-9(2,3)8(11-12)7-13-10(4,5)6/h12H,7H2,1-6H3/b11-8-
InChIKeyZPWFACQPRCKDJY-FLIBITNWSA-N
MW203.35 g/mol
LogP3.39
Rot. Bonds2

About (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 88779399) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID88779399
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)SC/C(=N/O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-9(2,3)8(11-12)7-13-10(4,5)6/h12H,7H2,1-6H3/b11-8-
InChIKeyZPWFACQPRCKDJY-FLIBITNWSA-N
XLogP3.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 88779399) is (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine is CC(C)(C)SC/C(=N/O)C(C)(C)C.
What is the InChIKey of (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is ZPWFACQPRCKDJY-FLIBITNWSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2,3)8(11-12)7-13-10(4,5)6/h12H,7H2,1-6H3/b11-8-.
What are the key properties of (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 203.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88779399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).