5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol

C12H24N2O5S2 — CID 66052984

IUPAC5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O5S2/c1-13(2)8-10-7-11(15)9-14(10)21(18,19)12-3-5-20(16,17)6-4-12/h10-12,15H,3-9H2,1-2H3
InChIKeyBPDOPGOQAHGQAA-UHFFFAOYSA-N
MW340.47 g/mol
LogP-1.11
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 66052984) has the molecular formula C12H24N2O5S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID66052984
Molecular FormulaC12H24N2O5S2
Molecular Weight340.47 g/mol
Exact Mass340.11
IUPAC Name5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O5S2/c1-13(2)8-10-7-11(15)9-14(10)21(18,19)12-3-5-20(16,17)6-4-12/h10-12,15H,3-9H2,1-2H3
InChIKeyBPDOPGOQAHGQAA-UHFFFAOYSA-N
XLogP-1.11
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol (CID 66052984) is 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is BPDOPGOQAHGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S2/c1-13(2)8-10-7-11(15)9-14(10)21(18,19)12-3-5-20(16,17)6-4-12/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 340.47 g/mol, XLogP of -1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66052984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).