N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide

C12H24N2O3S — CID 4526044

IUPACN-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C12H24N2O3S/c1-4-8-18(16,17)14-7-5-6-11(9-14)12(15)13-10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVAVOFCWFYFDKLZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds5

About N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide

N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4526044) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4526044
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C12H24N2O3S/c1-4-8-18(16,17)14-7-5-6-11(9-14)12(15)13-10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVAVOFCWFYFDKLZ-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide (CID 4526044) is N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NC(C)C)C1.
What is the InChIKey of N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is VAVOFCWFYFDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-8-18(16,17)14-7-5-6-11(9-14)12(15)13-10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide?
N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4526044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).