1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol

C7H16O7S2 — CID 11437335

IUPAC1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol
SMILESO=S(=O)(CCO)CC(O)CS(=O)(=O)CCO
InChIInChI=1S/C7H16O7S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7-10H,1-6H2
InChIKeyCVFXDAXIZHJZAH-UHFFFAOYSA-N
MW276.33 g/mol
LogP-2.84
Rot. Bonds8

About 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol

1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol (PubChem CID 11437335) has the molecular formula C7H16O7S2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol
PubChem CID11437335
Molecular FormulaC7H16O7S2
Molecular Weight276.33 g/mol
Exact Mass276.03
IUPAC Name1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol
SMILESO=S(=O)(CCO)CC(O)CS(=O)(=O)CCO
InChIInChI=1S/C7H16O7S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7-10H,1-6H2
InChIKeyCVFXDAXIZHJZAH-UHFFFAOYSA-N
XLogP-2.84
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-2.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Hydroxy-4-methanesulfonyl-1lambda6-thiolane-1,1-dione
CID 2736578
1-Methanesulfonylpropan-2-ol
CID 121569
(S)-2-hydroxypropyl-CoM
CID 443232
2,2-Dimethyl-1,1,3,3-tetraoxo-1,3-dithian-5-ol
CID 44522989
(R)-2-hydroxypropyl-CoM(1-)
CID 9543082
(S)-2-hydroxypropyl-CoM(1-)
CID 9543086
Thiophene-3-ol, 4-pentylsulfinyltetrahydro-, 1,1-dioxide
CID 3053237
Thiophene-3-ol, 4-pentylsulfonyltetrahydro-, 1,1-dioxide
CID 3053238
1,3-Bis(ethenylsulfonyl)-2-propanol
CID 13684924
2-hydroxyethyl-CoM
CID 122706025
(R)-2-Hydroxypropyl-CoM
CID 443230
2-hydroxypropyl-CoM
CID 4489452

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol?
The IUPAC name of 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol (CID 11437335) is 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol?
The canonical SMILES for 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol is O=S(=O)(CCO)CC(O)CS(=O)(=O)CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol?
The InChIKey is CVFXDAXIZHJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O7S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7-10H,1-6H2.
What are the key properties of 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol?
1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol has a molecular weight of 276.33 g/mol, XLogP of -2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol is sourced from PubChem (CID 11437335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).