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

C12H24N2O3S — CID 3237619

IUPACN-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-10(3)13-12(15)11-6-8-14(9-7-11)18(16,17)5-2/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyYFSKKGCANSBGHO-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.96
Rot. Bonds5

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

N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3237619) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3237619
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-10(3)13-12(15)11-6-8-14(9-7-11)18(16,17)5-2/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyYFSKKGCANSBGHO-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-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide (CID 3237619) is N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is YFSKKGCANSBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-10(3)13-12(15)11-6-8-14(9-7-11)18(16,17)5-2/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-ethylsulfonylpiperidine-4-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-butan-2-yl-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3237619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).