1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C13H19BrN2O3S2 — CID 4186124

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyRSXHRNRKBVUSLP-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.44
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 4186124) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID4186124
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17)
InChIKeyRSXHRNRKBVUSLP-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
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-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
N-(prop-2-en-1-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 9442359
N-propyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2443807
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 4186124) is 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RSXHRNRKBVUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c1-9(2)15-13(17)10-5-7-16(8-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,9-10H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 2.44, 4 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 4186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).