butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate

C10H20O4S — CID 174703961

IUPACbutyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate
SMILESCCCCOS(=O)(=O)C1(C[C@H](C)O)CC1
InChIInChI=1S/C10H20O4S/c1-3-4-7-14-15(12,13)10(5-6-10)8-9(2)11/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHWGDWODYFPDQID-VIFPVBQESA-N
MW236.33 g/mol
LogP1.44
Rot. Bonds7

About butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate

butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate (PubChem CID 174703961) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate.

Molecular Properties

Compound Namebutyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate
PubChem CID174703961
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Namebutyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate
SMILESCCCCOS(=O)(=O)C1(C[C@H](C)O)CC1
InChIInChI=1S/C10H20O4S/c1-3-4-7-14-15(12,13)10(5-6-10)8-9(2)11/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHWGDWODYFPDQID-VIFPVBQESA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

butyl 1-(3-hydroxy-2-methoxypropyl)cyclopropane-1-sulfonate
CID 123979307
butyl 1-[(2R)-2-hydroxy-3-(oxan-2-yloxy)propyl]cyclopropane-1-sulfonate
CID 71479275
butyl hydrogen sulfate;phosphane
CID 173112718
butyl hydrogen sulfate;heptane
CID 175360663
butyl hydrogen sulfate;hydrazine
CID 88762415
butyl hydrogen sulfate;ethoxyethane
CID 89261917
decyl hydrogen sulfate;dodecyl hydrogen sulfate
CID 87746197
3-propan-2-ylheptyl hydrogen sulfate
CID 154505516
1-aminopropan-1-ol;dodecyl hydrogen sulfate
CID 175192764
1-chlorosulfonyloxybutane
CID 13310121
butan-2-ol;pentane
CID 87560104
Sodiumn-tridecylsulphate
CID 131877406

Frequently Asked Questions

What is the IUPAC name of butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate?
The IUPAC name of butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate (CID 174703961) is butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate.
What is the SMILES notation for butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate?
The canonical SMILES for butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate is CCCCOS(=O)(=O)C1(C[C@H](C)O)CC1.
What is the InChIKey of butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate?
The InChIKey is HWGDWODYFPDQID-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O4S/c1-3-4-7-14-15(12,13)10(5-6-10)8-9(2)11/h9,11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate?
butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate has a molecular weight of 236.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate is sourced from PubChem (CID 174703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).