N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide

C14H28N2O4S5 — CID 21436538

IUPACN-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide
SMILESCS(=O)(=O)N(SSSN(C1CCCCC1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C14H28N2O4S5/c1-24(17,18)15(13-9-5-3-6-10-13)21-23-22-16(25(2,19)20)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyDZIBCPLYCQFZEW-UHFFFAOYSA-N
MW448.72 g/mol
LogP4.03
Rot. Bonds8

About N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide

N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide (PubChem CID 21436538) has the molecular formula C14H28N2O4S5 and a molecular weight of 448.72 g/mol. Its IUPAC name is N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide
PubChem CID21436538
Molecular FormulaC14H28N2O4S5
Molecular Weight448.72 g/mol
Exact Mass448.07
IUPAC NameN-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide
SMILESCS(=O)(=O)N(SSSN(C1CCCCC1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C14H28N2O4S5/c1-24(17,18)15(13-9-5-3-6-10-13)21-23-22-16(25(2,19)20)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyDZIBCPLYCQFZEW-UHFFFAOYSA-N
XLogP4.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.72
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide (CID 21436538) is N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide is CS(=O)(=O)N(SSSN(C1CCCCC1)S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide?
The InChIKey is DZIBCPLYCQFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S5/c1-24(17,18)15(13-9-5-3-6-10-13)21-23-22-16(25(2,19)20)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide?
N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide has a molecular weight of 448.72 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[cyclohexyl(methylsulfonyl)amino]trisulfanyl]methanesulfonamide is sourced from PubChem (CID 21436538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).