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N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C15H24N2O3S2 — CID 46547457

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C15H24N2O3S2/c1-4-11(2)16-15(18)13-6-5-9-17(10-13)22(19,20)14-8-7-12(3)21-14/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,18)
InChIKeyHAXCBIKDPJYFKN-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.37
Rot. Bonds5

About N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 46547457) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID46547457
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C15H24N2O3S2/c1-4-11(2)16-15(18)13-6-5-9-17(10-13)22(19,20)14-8-7-12(3)21-14/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,18)
InChIKeyHAXCBIKDPJYFKN-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 46547457) is N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HAXCBIKDPJYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-11(2)16-15(18)13-6-5-9-17(10-13)22(19,20)14-8-7-12(3)21-14/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46547457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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