N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide

C13H26N2O3S — CID 6473479

IUPACN-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3S/c1-5-9-19(17,18)15-8-6-7-11(10-15)12(16)14-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyINJWIRFUNVTXGC-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds4

About N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide

N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 6473479) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID6473479
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3S/c1-5-9-19(17,18)15-8-6-7-11(10-15)12(16)14-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyINJWIRFUNVTXGC-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide (CID 6473479) is N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is INJWIRFUNVTXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-5-9-19(17,18)15-8-6-7-11(10-15)12(16)14-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide?
N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6473479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).