N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide

C11H20N2O3S — CID 54915549

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C11H20N2O3S/c14-11(10-1-4-12-5-2-10)13-7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyLFKMQGCQVIAUMS-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.46
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 54915549) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide
PubChem CID54915549
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C11H20N2O3S/c14-11(10-1-4-12-5-2-10)13-7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14)
InChIKeyLFKMQGCQVIAUMS-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide (CID 54915549) is N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide is O=C(NCC1CCS(=O)(=O)C1)C1CCNCC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LFKMQGCQVIAUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(10-1-4-12-5-2-10)13-7-9-3-6-17(15,16)8-9/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 54915549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).