cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium

C10H20NO3S+ — CID 5152228

IUPACcyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium
SMILESO=S1(=O)CC(O)C([NH2+]C2CCCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1
InChIKeyQJXHLODFVYVUCV-UHFFFAOYSA-O
MW234.34 g/mol
LogP-0.96
Rot. Bonds2

About cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium

cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium (PubChem CID 5152228) has the molecular formula C10H20NO3S+ and a molecular weight of 234.34 g/mol. Its IUPAC name is cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium.

Molecular Properties

Compound Namecyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium
PubChem CID5152228
Molecular FormulaC10H20NO3S+
Molecular Weight234.34 g/mol
Exact Mass234.12
IUPAC Namecyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium
SMILESO=S1(=O)CC(O)C([NH2+]C2CCCCC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1
InChIKeyQJXHLODFVYVUCV-UHFFFAOYSA-O
XLogP-0.96
TPSA70.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Capso
CID 2733480
4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate
CID 25000353
(2S)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004981
(2R)-3-(cyclohexylazaniumyl)-2-hydroxypropane-1-sulfonate
CID 7004983
(2s)-3-(Cyclohexylamino)-2-Hydroxypropane-1-Sulfonic Acid
CID 7004982
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
3-(Cyclohexylamino)-2-hydroxypropane-1-sulfonate
CID 18786723
(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
CID 7004984

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium?
The IUPAC name of cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium (CID 5152228) is cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium.
What is the SMILES notation for cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium?
The canonical SMILES for cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium is O=S1(=O)CC(O)C([NH2+]C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium?
The InChIKey is QJXHLODFVYVUCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h8-12H,1-7H2/p+1.
What are the key properties of cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium?
cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium has a molecular weight of 234.34 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium is sourced from PubChem (CID 5152228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).