N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide

C13H26N2O3S — CID 3357583

IUPACN-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC(C)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-10-19(17,18)15-8-6-12(7-9-15)13(16)14-11(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyQOBOCJCVDYUSEQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds6

About N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3357583) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3357583
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC(C)CC)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-10-19(17,18)15-8-6-12(7-9-15)13(16)14-11(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyQOBOCJCVDYUSEQ-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide (CID 3357583) is N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NC(C)CC)CC1.
What is the InChIKey of N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is QOBOCJCVDYUSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-10-19(17,18)15-8-6-12(7-9-15)13(16)14-11(3)5-2/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3357583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).