N-cyclohexylsulfamate;triphenylsulfanium

C24H27NO3S2 — CID 87267054

IUPACN-cyclohexylsulfamate;triphenylsulfanium
SMILESO=S(=O)([O-])NC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C6H13NO3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-11(9,10)7-6-4-2-1-3-5-6/h1-15H;6-7H,1-5H2,(H,8,9,10)/q+1;/p-1
InChIKeyPTQIBOHIVVPPCJ-UHFFFAOYSA-M
MW441.62 g/mol
LogP5.15
Rot. Bonds5

About N-cyclohexylsulfamate;triphenylsulfanium

N-cyclohexylsulfamate;triphenylsulfanium (PubChem CID 87267054) has the molecular formula C24H27NO3S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-cyclohexylsulfamate;triphenylsulfanium.

Molecular Properties

Compound NameN-cyclohexylsulfamate;triphenylsulfanium
PubChem CID87267054
Molecular FormulaC24H27NO3S2
Molecular Weight441.62 g/mol
Exact Mass441.14
IUPAC NameN-cyclohexylsulfamate;triphenylsulfanium
SMILESO=S(=O)([O-])NC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C6H13NO3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-11(9,10)7-6-4-2-1-3-5-6/h1-15H;6-7H,1-5H2,(H,8,9,10)/q+1;/p-1
InChIKeyPTQIBOHIVVPPCJ-UHFFFAOYSA-M
XLogP5.15
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium N-cyclohexylsulfamate
CID 23616622
magnesium bis(N-cyclohexylsulfamate)
CID 76970195
calcium bis(N-cyclohexylsulfamate)
CID 8752
calcium;N-cyclohexylsulfamate;dihydrate
CID 23618481
N-cyclohexylsulfamate;ethyl-dimethyl-(1-phenylbut-3-enyl)azanium
CID 87997530
disodium;N-[4-(sulfonatoamino)cyclohexyl]sulfamate
CID 101095767
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
CID 155764700
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfamate;triphenylsulfanium?
The IUPAC name of N-cyclohexylsulfamate;triphenylsulfanium (CID 87267054) is N-cyclohexylsulfamate;triphenylsulfanium.
What is the SMILES notation for N-cyclohexylsulfamate;triphenylsulfanium?
The canonical SMILES for N-cyclohexylsulfamate;triphenylsulfanium is O=S(=O)([O-])NC1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-cyclohexylsulfamate;triphenylsulfanium?
The InChIKey is PTQIBOHIVVPPCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15S.C6H13NO3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-11(9,10)7-6-4-2-1-3-5-6/h1-15H;6-7H,1-5H2,(H,8,9,10)/q+1;/p-1.
What are the key properties of N-cyclohexylsulfamate;triphenylsulfanium?
N-cyclohexylsulfamate;triphenylsulfanium has a molecular weight of 441.62 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfamate;triphenylsulfanium is sourced from PubChem (CID 87267054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).