2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide

C15H26N2O3S — CID 56798491

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NS(=O)(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)10-12-13(15(12,3)4)14(18)16-21(19,20)17-8-6-5-7-9-17/h10,12-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyWRXMTLKNSHEAPY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.07
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 56798491) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
PubChem CID56798491
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NS(=O)(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)10-12-13(15(12,3)4)14(18)16-21(19,20)17-8-6-5-7-9-17/h10,12-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyWRXMTLKNSHEAPY-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide (CID 56798491) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NS(=O)(=O)N2CCCCC2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is WRXMTLKNSHEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)10-12-13(15(12,3)4)14(18)16-21(19,20)17-8-6-5-7-9-17/h10,12-13H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 56798491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).