amino-cyclohexylsulfanyl-iminophosphanium

C6H14N2PS+ — CID 22639567

IUPACamino-cyclohexylsulfanyl-iminophosphanium
SMILES[H]/N=[P+](\N)SC1CCCCC1
InChIInChI=1S/C6H14N2PS/c7-9(8)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8)/q+1
InChIKeyMNMREAPBAJYUIB-UHFFFAOYSA-N
MW177.23 g/mol
LogP3.09
Rot. Bonds2

About amino-cyclohexylsulfanyl-iminophosphanium

amino-cyclohexylsulfanyl-iminophosphanium (PubChem CID 22639567) has the molecular formula C6H14N2PS+ and a molecular weight of 177.23 g/mol. Its IUPAC name is amino-cyclohexylsulfanyl-iminophosphanium.

Molecular Properties

Compound Nameamino-cyclohexylsulfanyl-iminophosphanium
PubChem CID22639567
Molecular FormulaC6H14N2PS+
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Nameamino-cyclohexylsulfanyl-iminophosphanium
SMILES[H]/N=[P+](\N)SC1CCCCC1
InChIInChI=1S/C6H14N2PS/c7-9(8)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8)/q+1
InChIKeyMNMREAPBAJYUIB-UHFFFAOYSA-N
XLogP3.09
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cycloheptyl carbamimidothioate
CID 82935855
cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
cyclohexyl carbamimidothioate;oxalonitrile
CID 162013325
methanamine;methylsulfanylcyclohexane
CID 143239211
2-cyclopentylsulfanylethanimidamide
CID 63114985
cyclohexylsulfanylmethanamine
CID 18729999
disulfanylcyclododecane
CID 87475322
cyclohexyl thiohypochlorite
CID 174496435
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
1-cyclohexylsulfanylethanamine
CID 22450260
1-cyclooctylethanimine
CID 142132470

Frequently Asked Questions

What is the IUPAC name of amino-cyclohexylsulfanyl-iminophosphanium?
The IUPAC name of amino-cyclohexylsulfanyl-iminophosphanium (CID 22639567) is amino-cyclohexylsulfanyl-iminophosphanium.
What is the SMILES notation for amino-cyclohexylsulfanyl-iminophosphanium?
The canonical SMILES for amino-cyclohexylsulfanyl-iminophosphanium is [H]/N=[P+](\N)SC1CCCCC1.
What is the InChIKey of amino-cyclohexylsulfanyl-iminophosphanium?
The InChIKey is MNMREAPBAJYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2PS/c7-9(8)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8)/q+1.
What are the key properties of amino-cyclohexylsulfanyl-iminophosphanium?
amino-cyclohexylsulfanyl-iminophosphanium has a molecular weight of 177.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-cyclohexylsulfanyl-iminophosphanium is sourced from PubChem (CID 22639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).