4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid

C10H19NO5S — CID 107216293

IUPAC4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO5S/c12-9-5-2-1-4-8(9)11-17(15,16)7-3-6-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyNZKXZZLBHTYGGU-RKDXNWHRSA-N
MW265.33 g/mol
LogP0.07
Rot. Bonds6

About 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid

4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid (PubChem CID 107216293) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
PubChem CID107216293
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO5S/c12-9-5-2-1-4-8(9)11-17(15,16)7-3-6-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyNZKXZZLBHTYGGU-RKDXNWHRSA-N
XLogP0.07
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid (CID 107216293) is 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid?
The InChIKey is NZKXZZLBHTYGGU-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO5S/c12-9-5-2-1-4-8(9)11-17(15,16)7-3-6-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid?
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 107216293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).