1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H16ClNO5S — CID 168711075

IUPAC1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC1(C)OCC(N2CC(S(=O)(=O)Cl)CC2=O)CO1
InChIInChI=1S/C10H16ClNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyLNLXUXBZDXSACU-UHFFFAOYSA-N
MW297.76 g/mol
LogP0.31
Rot. Bonds2

About 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711075) has the molecular formula C10H16ClNO5S and a molecular weight of 297.76 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711075
Molecular FormulaC10H16ClNO5S
Molecular Weight297.76 g/mol
Exact Mass297.04
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC1(C)OCC(N2CC(S(=O)(=O)Cl)CC2=O)CO1
InChIInChI=1S/C10H16ClNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3
InChIKeyLNLXUXBZDXSACU-UHFFFAOYSA-N
XLogP0.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675148
1-[5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713551
1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713552
[1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672673
[1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680635
S-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704717
1-(2,2-Dimethyl-1,3-dioxan-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168708044
1-(3-Morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710875
1-(2-Morpholin-4-ylpropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710880
1-(1-Methoxybutan-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710932
1-(2,2-Dimethoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711121
1-(2,2-Diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711075) is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride is CC1(C)OCC(N2CC(S(=O)(=O)Cl)CC2=O)CO1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is LNLXUXBZDXSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO5S/c1-10(2)16-5-7(6-17-10)12-4-8(3-9(12)13)18(11,14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 297.76 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).