N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C15H24N2O3S2 — CID 2089592

IUPACN-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-4-15(2,3)16-14(18)12-7-9-17(10-8-12)22(19,20)13-6-5-11-21-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeySSRKKINTROJFME-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.45
Rot. Bonds5

About N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2089592) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2089592
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-4-15(2,3)16-14(18)12-7-9-17(10-8-12)22(19,20)13-6-5-11-21-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeySSRKKINTROJFME-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2089592) is N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SSRKKINTROJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-15(2,3)16-14(18)12-7-9-17(10-8-12)22(19,20)13-6-5-11-21-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2089592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).