(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine

C14H25NOS — CID 40630406

IUPAC(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCC[C@H]1SC1CCCCC1
InChIInChI=1S/C14H25NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h12,14,16H,1-11H2/b15-13-/t14-/m1/s1
InChIKeySHAVGMFALXYJKX-JNINTMOKSA-N
MW255.43 g/mol
LogP4.61
Rot. Bonds2

About (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine

(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine (PubChem CID 40630406) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine
PubChem CID40630406
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine
SMILESO/N=C1/CCCCCC[C@H]1SC1CCCCC1
InChIInChI=1S/C14H25NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h12,14,16H,1-11H2/b15-13-/t14-/m1/s1
InChIKeySHAVGMFALXYJKX-JNINTMOKSA-N
XLogP4.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.61
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 (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine (CID 40630406) is (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine is O/N=C1/CCCCCC[C@H]1SC1CCCCC1.
What is the InChIKey of (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine?
The InChIKey is SHAVGMFALXYJKX-JNINTMOKSA-N. The full InChI is InChI=1S/C14H25NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h12,14,16H,1-11H2/b15-13-/t14-/m1/s1.
What are the key properties of (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine?
(NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine has a molecular weight of 255.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R)-2-cyclohexylsulfanylcyclooctylidene]hydroxylamine is sourced from PubChem (CID 40630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).