[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol

C11H21NO3S — CID 117270425

IUPAC[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESO=S1(=O)CCC(CC2CNC(CO)C2)CC1
InChIInChI=1S/C11H21NO3S/c13-8-11-6-10(7-12-11)5-9-1-3-16(14,15)4-2-9/h9-13H,1-8H2
InChIKeyBSIBICACEXZFRY-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.17
Rot. Bonds3

About [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol

[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 117270425) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID117270425
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESO=S1(=O)CCC(CC2CNC(CO)C2)CC1
InChIInChI=1S/C11H21NO3S/c13-8-11-6-10(7-12-11)5-9-1-3-16(14,15)4-2-9/h9-13H,1-8H2
InChIKeyBSIBICACEXZFRY-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 117270425) is [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol is O=S1(=O)CCC(CC2CNC(CO)C2)CC1.
What is the InChIKey of [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BSIBICACEXZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-8-11-6-10(7-12-11)5-9-1-3-16(14,15)4-2-9/h9-13H,1-8H2.
What are the key properties of [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol?
[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).