N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine

C10H14N2OS — CID 131847200

IUPACN-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCC(C)(C)Sc1ccc(C=NO)cn1
InChIInChI=1S/C10H14N2OS/c1-10(2,3)14-9-5-4-8(6-11-9)7-12-13/h4-7,13H,1-3H3
InChIKeyHNARVZYCVLNLHU-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.78
Rot. Bonds2

About N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine

N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131847200) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131847200
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCC(C)(C)Sc1ccc(C=NO)cn1
InChIInChI=1S/C10H14N2OS/c1-10(2,3)14-9-5-4-8(6-11-9)7-12-13/h4-7,13H,1-3H3
InChIKeyHNARVZYCVLNLHU-UHFFFAOYSA-N
XLogP2.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.78
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

N-[(6-iodo-3-pyridinyl)methylidene]hydroxylamine
CID 131847169
2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
CID 102546908
(NZ)-N-[(6-chloro-3-pyridinyl)methylidene]hydroxylamine
CID 55279774
(NZ)-N-[[6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 124502737
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503049
2,5-bis(tert-butylsulfanyl)pyrazine
CID 121007849
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
CID 2453624
tert-butyl 3-hydroxy-3-[5-[(E)-hydroxyiminomethyl]-2-pyridinyl]azetidine-1-carboxylate
CID 58079778
6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990

Frequently Asked Questions

What is the IUPAC name of N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine (CID 131847200) is N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine is CC(C)(C)Sc1ccc(C=NO)cn1.
What is the InChIKey of N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is HNARVZYCVLNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-10(2,3)14-9-5-4-8(6-11-9)7-12-13/h4-7,13H,1-3H3.
What are the key properties of N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine?
N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 210.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131847200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).