(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide

C11H20N2O5S2 — CID 124746891

IUPAC(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O5S2/c1-19(15,16)13-5-2-3-9(7-13)11(14)12-10-4-6-20(17,18)8-10/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyCHQGAPQAWMOZDT-UWVGGRQHSA-N
MW324.42 g/mol
LogP-1.04
Rot. Bonds3

About (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 124746891) has the molecular formula C11H20N2O5S2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID124746891
Molecular FormulaC11H20N2O5S2
Molecular Weight324.42 g/mol
Exact Mass324.08
IUPAC Name(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20N2O5S2/c1-19(15,16)13-5-2-3-9(7-13)11(14)12-10-4-6-20(17,18)8-10/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyCHQGAPQAWMOZDT-UWVGGRQHSA-N
XLogP-1.04
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 51729832
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771216
(3R)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771217
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 124746891) is (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is CHQGAPQAWMOZDT-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O5S2/c1-19(15,16)13-5-2-3-9(7-13)11(14)12-10-4-6-20(17,18)8-10/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 124746891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).