cyclohexyl(2-sulfoethyl)azanium

C8H18NO3S+ — CID 100976499

IUPACcyclohexyl(2-sulfoethyl)azanium
SMILESO=S(=O)(O)CC[NH2+]C1CCCCC1
InChIInChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)/p+1
InChIKeyMKWKNSIESPFAQN-UHFFFAOYSA-O
MW208.30 g/mol
LogP-0.23
Rot. Bonds4

About cyclohexyl(2-sulfoethyl)azanium

cyclohexyl(2-sulfoethyl)azanium (PubChem CID 100976499) has the molecular formula C8H18NO3S+ and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohexyl(2-sulfoethyl)azanium.

Molecular Properties

Compound Namecyclohexyl(2-sulfoethyl)azanium
PubChem CID100976499
Molecular FormulaC8H18NO3S+
Molecular Weight208.30 g/mol
Exact Mass208.10
IUPAC Namecyclohexyl(2-sulfoethyl)azanium
SMILESO=S(=O)(O)CC[NH2+]C1CCCCC1
InChIInChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)/p+1
InChIKeyMKWKNSIESPFAQN-UHFFFAOYSA-O
XLogP-0.23
TPSA70.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohexylamino)-1-propanesulfonic acid
CID 70815
2-(Cyclohexylamino)ethanesulfonic acid
CID 66898
2-(Cyclohexylazaniumyl)ethanesulfonate
CID 3852474
4-(Cyclohexylamino)butane-1-sulfonic acid
CID 11207078
Cyclohexyl-[2-(trihydroxy-lambda4-sulfanyl)ethyl]azanium
CID 78225627
N-cyclohexyl-2-(cyclopropylamino)ethanesulfonamide
CID 45480038
Ethanethiol, 2-(cyclohexylamino)-, hydrogen sulfate (ester)
CID 210269
3-(Cyclohexylazaniumyl)propane-1-sulfonate
CID 12546061
2-(Cyclohexylamino)-1-propanesulfonic acid
CID 19790457
Sodium 3-(cyclohexylamino)propane-1-sulfonate
CID 23666801
Ethanesulfonic acid, 2-(cyclohexylamino)-, sodium salt (1:1)
CID 23666805
2-(Cyclohexylamino)ethanesulfinic acid
CID 42627234

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(2-sulfoethyl)azanium?
The IUPAC name of cyclohexyl(2-sulfoethyl)azanium (CID 100976499) is cyclohexyl(2-sulfoethyl)azanium.
What is the SMILES notation for cyclohexyl(2-sulfoethyl)azanium?
The canonical SMILES for cyclohexyl(2-sulfoethyl)azanium is O=S(=O)(O)CC[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl(2-sulfoethyl)azanium?
The InChIKey is MKWKNSIESPFAQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)/p+1.
What are the key properties of cyclohexyl(2-sulfoethyl)azanium?
cyclohexyl(2-sulfoethyl)azanium has a molecular weight of 208.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(2-sulfoethyl)azanium is sourced from PubChem (CID 100976499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).