N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C14H22N2O3S2 — CID 3690861

IUPACN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-8-16(9-7-12)21(18,19)13-5-4-10-20-13/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyNYWLHMQWGXCMSD-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.06
Rot. Bonds5

About N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3690861) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3690861
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-8-16(9-7-12)21(18,19)13-5-4-10-20-13/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyNYWLHMQWGXCMSD-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.06
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-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3690861) is N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NYWLHMQWGXCMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-11(2)15-14(17)12-6-8-16(9-7-12)21(18,19)13-5-4-10-20-13/h4-5,10-12H,3,6-9H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.06, 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-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3690861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).