1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide

C14H21BrN2O3S2 — CID 4093956

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2O3S2/c1-14(2,3)16-13(18)10-6-8-17(9-7-10)22(19,20)12-5-4-11(15)21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyDIYMUIYRQWEXLV-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.83
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide (PubChem CID 4093956) has the molecular formula C14H21BrN2O3S2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide
PubChem CID4093956
Molecular FormulaC14H21BrN2O3S2
Molecular Weight409.37 g/mol
Exact Mass408.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2O3S2/c1-14(2,3)16-13(18)10-6-8-17(9-7-10)22(19,20)12-5-4-11(15)21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyDIYMUIYRQWEXLV-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4342607
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
N-propyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2443807
1-(4,5-Dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 45488382
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
CID 3239434
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 3317218
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide (CID 4093956) is 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide?
The InChIKey is DIYMUIYRQWEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S2/c1-14(2,3)16-13(18)10-6-8-17(9-7-10)22(19,20)12-5-4-11(15)21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-tert-butylpiperidine-4-carboxamide is sourced from PubChem (CID 4093956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).