[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium

C11H22NO3S+ — CID 11889635

IUPAC[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium
SMILESC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C11H21NO3S/c1-8-4-2-3-5-9(8)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/p+1/t8-,9-,10-,11+/m1/s1
InChIKeyXMKDWHLIEMVMCH-DBIOUOCHSA-O
MW248.37 g/mol
LogP-0.71
Rot. Bonds2

About [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium

[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium (PubChem CID 11889635) has the molecular formula C11H22NO3S+ and a molecular weight of 248.37 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium
PubChem CID11889635
Molecular FormulaC11H22NO3S+
Molecular Weight248.37 g/mol
Exact Mass248.13
IUPAC Name[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium
SMILESC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C11H21NO3S/c1-8-4-2-3-5-9(8)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/p+1/t8-,9-,10-,11+/m1/s1
InChIKeyXMKDWHLIEMVMCH-DBIOUOCHSA-O
XLogP-0.71
TPSA70.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium?
The IUPAC name of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium (CID 11889635) is [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium.
What is the SMILES notation for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium?
The canonical SMILES for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium is C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium?
The InChIKey is XMKDWHLIEMVMCH-DBIOUOCHSA-O. The full InChI is InChI=1S/C11H21NO3S/c1-8-4-2-3-5-9(8)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/p+1/t8-,9-,10-,11+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium?
[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium has a molecular weight of 248.37 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-[(1R,2R)-2-methylcyclohexyl]azanium is sourced from PubChem (CID 11889635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).