bis(sulfanyl)methylidene-dicyclohexylazanium

C13H24NS2+ — CID 22834351

IUPACbis(sulfanyl)methylidene-dicyclohexylazanium
SMILESSC(S)=[N+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23NS2/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,16)/p+1
InChIKeyPEEFBAYDEKJSPE-UHFFFAOYSA-O
MW258.48 g/mol
LogP3.88
Rot. Bonds2

About bis(sulfanyl)methylidene-dicyclohexylazanium

bis(sulfanyl)methylidene-dicyclohexylazanium (PubChem CID 22834351) has the molecular formula C13H24NS2+ and a molecular weight of 258.48 g/mol. Its IUPAC name is bis(sulfanyl)methylidene-dicyclohexylazanium.

Molecular Properties

Compound Namebis(sulfanyl)methylidene-dicyclohexylazanium
PubChem CID22834351
Molecular FormulaC13H24NS2+
Molecular Weight258.48 g/mol
Exact Mass258.13
IUPAC Namebis(sulfanyl)methylidene-dicyclohexylazanium
SMILESSC(S)=[N+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23NS2/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,16)/p+1
InChIKeyPEEFBAYDEKJSPE-UHFFFAOYSA-O
XLogP3.88
TPSA3.01 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

di(cyclooctyl)azaniumylideneazanide
CID 18361652
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
N-cycloheptylmethanimine oxide
CID 163654049
CID 157040931
CID 157040931
cyclohexylcyclohexane;dihydroxysilane
CID 173062511
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414

Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)methylidene-dicyclohexylazanium?
The IUPAC name of bis(sulfanyl)methylidene-dicyclohexylazanium (CID 22834351) is bis(sulfanyl)methylidene-dicyclohexylazanium.
What is the SMILES notation for bis(sulfanyl)methylidene-dicyclohexylazanium?
The canonical SMILES for bis(sulfanyl)methylidene-dicyclohexylazanium is SC(S)=[N+](C1CCCCC1)C1CCCCC1.
What is the InChIKey of bis(sulfanyl)methylidene-dicyclohexylazanium?
The InChIKey is PEEFBAYDEKJSPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23NS2/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,16)/p+1.
What are the key properties of bis(sulfanyl)methylidene-dicyclohexylazanium?
bis(sulfanyl)methylidene-dicyclohexylazanium has a molecular weight of 258.48 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)methylidene-dicyclohexylazanium is sourced from PubChem (CID 22834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).