N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine

C13H18N2OS — CID 131847144

IUPACN-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1nc(SC2CCCCC2)ccc1C=NO
InChIInChI=1S/C13H18N2OS/c1-10-11(9-14-16)7-8-13(15-10)17-12-5-3-2-4-6-12/h7-9,12,16H,2-6H2,1H3
InChIKeyDVFXKJDOQQUFCE-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.62
Rot. Bonds3

About N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine

N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131847144) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131847144
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1nc(SC2CCCCC2)ccc1C=NO
InChIInChI=1S/C13H18N2OS/c1-10-11(9-14-16)7-8-13(15-10)17-12-5-3-2-4-6-12/h7-9,12,16H,2-6H2,1H3
InChIKeyDVFXKJDOQQUFCE-UHFFFAOYSA-N
XLogP3.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine (CID 131847144) is N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine is Cc1nc(SC2CCCCC2)ccc1C=NO.
What is the InChIKey of N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is DVFXKJDOQQUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-11(9-14-16)7-8-13(15-10)17-12-5-3-2-4-6-12/h7-9,12,16H,2-6H2,1H3.
What are the key properties of N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine?
N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 250.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131847144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).