N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide

C15H24N2O3S — CID 63131860

IUPACN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1(CC)CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N2O3S/c1-3-9-17(13-6-10-21(19,20)11-13)14(18)15(4-2)7-5-8-16-12-15/h1,13,16H,4-12H2,2H3
InChIKeyXXXSTHIXRFEDQY-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.42
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 63131860) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID63131860
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(C(=O)C1(CC)CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N2O3S/c1-3-9-17(13-6-10-21(19,20)11-13)14(18)15(4-2)7-5-8-16-12-15/h1,13,16H,4-12H2,2H3
InChIKeyXXXSTHIXRFEDQY-UHFFFAOYSA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63140283
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 54874470
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
CID 63374585
N-butyl-N-cyclopropyl-3-ethylpiperidine-3-carboxamide
CID 63131459
N-(1,1-dioxothiolan-3-yl)-3-oxo-N-prop-2-ynylbutanamide
CID 54876509
N-cycloheptyl-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130331
2-amino-N-(1,1-dioxothiolan-3-yl)-2-ethyl-N-prop-2-ynylbutanamide
CID 79814903
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 79388218
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylprop-2-enamide
CID 60948987
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978465

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 63131860) is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(C(=O)C1(CC)CCCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is XXXSTHIXRFEDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-9-17(13-6-10-21(19,20)11-13)14(18)15(4-2)7-5-8-16-12-15/h1,13,16H,4-12H2,2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 0.42, 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)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 63131860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).