2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate

C8H17O6PS — CID 11300242

IUPAC2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C8H17O6PS/c9-15(10,11)14-5-6-16(12,13)7-8-3-1-2-4-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyWWKZOUPLABJCFN-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.70
Rot. Bonds6

About 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate

2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate (PubChem CID 11300242) has the molecular formula C8H17O6PS and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
PubChem CID11300242
Molecular FormulaC8H17O6PS
Molecular Weight272.26 g/mol
Exact Mass272.05
IUPAC Name2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C8H17O6PS/c9-15(10,11)14-5-6-16(12,13)7-8-3-1-2-4-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyWWKZOUPLABJCFN-UHFFFAOYSA-N
XLogP0.70
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

17-cyclopentylheptadecyl dihydrogen phosphate
CID 19374057
cyclohexylmethyl dihydrogen phosphate
CID 14982025
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
4-[2-(cyclopentylmethylsulfonyl)ethoxy]aniline
CID 63119751
4-(cyclopentylmethylsulfonyl)butan-1-amine
CID 64699087
3-(cyclobutylmethylsulfonyl)propanoic acid
CID 65456899
2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate
CID 121460279
2-(dicyclohexylamino)ethyl dihydrogen phosphate
CID 90860434
6-chlorohexylsulfonylmethylcyclopentane
CID 63119415
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
CID 106513471

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate (CID 11300242) is 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate is O=P(O)(O)OCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate?
The InChIKey is WWKZOUPLABJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6PS/c9-15(10,11)14-5-6-16(12,13)7-8-3-1-2-4-8/h8H,1-7H2,(H2,9,10,11).
What are the key properties of 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate?
2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate has a molecular weight of 272.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate is sourced from PubChem (CID 11300242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).