(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol

C7H12O5S2 — CID 124583387

IUPAC(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol
SMILESC=CS(=O)(=O)CC[C@H](O)S(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1
InChIKeyGTYCPQSJEVDNDF-SSDOTTSWSA-N
MW240.30 g/mol
LogP-0.19
Rot. Bonds6

About (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol

(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol (PubChem CID 124583387) has the molecular formula C7H12O5S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol
PubChem CID124583387
Molecular FormulaC7H12O5S2
Molecular Weight240.30 g/mol
Exact Mass240.01
IUPAC Name(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol
SMILESC=CS(=O)(=O)CC[C@H](O)S(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1
InChIKeyGTYCPQSJEVDNDF-SSDOTTSWSA-N
XLogP-0.19
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(ethenylsulfonyl)methanol
CID 87959265
1,5-bis(ethenylsulfonyl)pentan-3-one
CID 14512333
bis(2-ethenylsulfonylethyl)azanium chloride
CID 173330031
2-(2-ethenylsulfonylethoxy)ethanol
CID 118674332
(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
2-(2-ethenylsulfonylethylamino)ethanol
CID 170994320
6-ethenylsulfonylhexanoyl iodide
CID 121401578
2,3-bis(ethenylsulfonyl)butane
CID 158758752
(3S)-2,3-bis(ethenylsulfonyl)butane
CID 159569958
1-ethenylsulfonyl-3-methoxypropane
CID 63857366
3-ethenylsulfonylprop-1-en-1-ol
CID 174348368
2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
CID 88713858

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol?
The IUPAC name of (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol (CID 124583387) is (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol.
What is the SMILES notation for (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol?
The canonical SMILES for (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol is C=CS(=O)(=O)CC[C@H](O)S(=O)(=O)C=C.
What is the InChIKey of (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol?
The InChIKey is GTYCPQSJEVDNDF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol?
(1R)-1,3-bis(ethenylsulfonyl)propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-bis(ethenylsulfonyl)propan-1-ol is sourced from PubChem (CID 124583387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).