N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide

C13H19BrN2O3S2 — CID 61073192

IUPACN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-9(2)12(17)15-10-3-6-16(7-4-10)21(18,19)13-11(14)5-8-20-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyDTEVAXUUTLRUHD-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide

N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide (PubChem CID 61073192) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
PubChem CID61073192
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC NameN-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-9(2)12(17)15-10-3-6-16(7-4-10)21(18,19)13-11(14)5-8-20-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyDTEVAXUUTLRUHD-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

Analyze N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 113228721
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
2-[4-(3-bromothiophen-2-yl)sulfonylpiperazin-1-yl]propanethioamide
CID 63342077
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide (CID 61073192) is N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide?
The InChIKey is DTEVAXUUTLRUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c1-9(2)12(17)15-10-3-6-16(7-4-10)21(18,19)13-11(14)5-8-20-13/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide?
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide 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 N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 61073192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).