N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H24N2O3S2 — CID 2409473

IUPACN-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-13(4-2)16-15(18)12-7-9-17(10-8-12)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyLVWIZXURIHLKIN-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.45
Rot. Bonds6

About N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2409473) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2409473
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-13(4-2)16-15(18)12-7-9-17(10-8-12)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyLVWIZXURIHLKIN-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3243927
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4387660
N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
(4-Methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 2091610
N-isopropyl-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 3239956
1-{[1-(Thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}azepane
CID 3244621
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-cyclohexyl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330102
N-cyclopentyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4075418
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2409473) is N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LVWIZXURIHLKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-3-13(4-2)16-15(18)12-7-9-17(10-8-12)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2409473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).