1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine

C11H22N2O4S2 — CID 63597100

IUPAC1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H22N2O4S2/c1-9(12)10-2-5-13(6-3-10)19(16,17)11-4-7-18(14,15)8-11/h9-11H,2-8,12H2,1H3
InChIKeyAUNHSIYCHVGTGR-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.44
Rot. Bonds3

About 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 63597100) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID63597100
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H22N2O4S2/c1-9(12)10-2-5-13(6-3-10)19(16,17)11-4-7-18(14,15)8-11/h9-11H,2-8,12H2,1H3
InChIKeyAUNHSIYCHVGTGR-UHFFFAOYSA-N
XLogP-0.44
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
CID 79994454
1-(1,1-dioxothian-3-yl)ethanamine
CID 66436765
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiolane 1,1-dioxide
CID 648922
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255342
2-[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341165
N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131897834
3-(4-benzylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 20995140
3-(1,1-dioxothiolan-3-yl)sulfonylbutanoic acid
CID 66116145
2-[1-(1,1-dioxothian-4-yl)sulfonylazetidin-3-yl]propanoic acid
CID 116681750

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine (CID 63597100) is 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is AUNHSIYCHVGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-9(12)10-2-5-13(6-3-10)19(16,17)11-4-7-18(14,15)8-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 310.44 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 63597100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).