2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid

C9H19NO4S — CID 174191866

IUPAC2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)N(O)C1CCCCC1
InChIInChI=1S/C9H19NO4S/c1-8(7-15(12,13)14)10(11)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBBENBFQUCLMMGT-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.29
Rot. Bonds4

About 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid

2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid (PubChem CID 174191866) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid.

Molecular Properties

Compound Name2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid
PubChem CID174191866
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)N(O)C1CCCCC1
InChIInChI=1S/C9H19NO4S/c1-8(7-15(12,13)14)10(11)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBBENBFQUCLMMGT-UHFFFAOYSA-N
XLogP1.29
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.1.1]heptane;2-methylpropane-1-sulfonic acid
CID 175440767
3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
3-cyclohexyl-2-propan-2-yloxypropane-1-sulfonic acid
CID 156663594
(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
CID 154318738
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-hydroxyamino]propane-1-sulfonic acid
CID 141277036
2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol
CID 75387096
[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid
CID 123813520
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid?
The IUPAC name of 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid (CID 174191866) is 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid.
What is the SMILES notation for 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid?
The canonical SMILES for 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid is CC(CS(=O)(=O)O)N(O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid?
The InChIKey is BBENBFQUCLMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(7-15(12,13)14)10(11)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid?
2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid has a molecular weight of 237.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(hydroxy)amino]propane-1-sulfonic acid is sourced from PubChem (CID 174191866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).