cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium

C8H20NO3S+ — CID 78225627

IUPACcyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium
SMILESOS(O)(O)CC[NH2+]C1CCCCC1
InChIInChI=1S/C8H19NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1
InChIKeyHSLCLKRCAPXETR-UHFFFAOYSA-O
MW210.32 g/mol
LogP1.11
Rot. Bonds4

About cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium

cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium (PubChem CID 78225627) has the molecular formula C8H20NO3S+ and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium
PubChem CID78225627
Molecular FormulaC8H20NO3S+
Molecular Weight210.32 g/mol
Exact Mass210.12
IUPAC Namecyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium
SMILESOS(O)(O)CC[NH2+]C1CCCCC1
InChIInChI=1S/C8H19NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1
InChIKeyHSLCLKRCAPXETR-UHFFFAOYSA-O
XLogP1.11
TPSA77.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium?
The IUPAC name of cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium (CID 78225627) is cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium.
What is the SMILES notation for cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium?
The canonical SMILES for cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium is OS(O)(O)CC[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium?
The InChIKey is HSLCLKRCAPXETR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1.
What are the key properties of cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium?
cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium has a molecular weight of 210.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(trihydroxy-λ4-sulfanyl)ethyl]azanium is sourced from PubChem (CID 78225627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).