N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide

C13H24N2O3S — CID 119268053

IUPACN-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-2-7-15(12-5-8-19(17,18)10-12)13(16)11-4-3-6-14-9-11/h11-12,14H,2-10H2,1H3
InChIKeyIIQOLZSHHDKPEP-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 119268053) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
PubChem CID119268053
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-2-7-15(12-5-8-19(17,18)10-12)13(16)11-4-3-6-14-9-11/h11-12,14H,2-10H2,1H3
InChIKeyIIQOLZSHHDKPEP-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 54874470
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63005577
N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
CID 119683492
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
CID 95266358
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 107067646
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 104913271
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 54874074

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide (CID 119268053) is N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide is CCCN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is IIQOLZSHHDKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-7-15(12-5-8-19(17,18)10-12)13(16)11-4-3-6-14-9-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 119268053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).