1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine

C16H19BrN2O2S2 — CID 39903994

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
SMILESC[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H19BrN2O2S2/c1-13(14-5-3-2-4-6-14)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeySCTYNRKBRUGZJB-ZDUSSCGKSA-N
MW415.38 g/mol
LogP3.58
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine

1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine (PubChem CID 39903994) has the molecular formula C16H19BrN2O2S2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
PubChem CID39903994
Molecular FormulaC16H19BrN2O2S2
Molecular Weight415.38 g/mol
Exact Mass414.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
SMILESC[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H19BrN2O2S2/c1-13(14-5-3-2-4-6-14)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h2-8,13H,9-12H2,1H3/t13-/m0/s1
InChIKeySCTYNRKBRUGZJB-ZDUSSCGKSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine 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

1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95088956
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 55355706
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-(9H-fluoren-9-yl)piperazine
CID 6735081
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
methyl 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 55508704
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide
CID 55919570
1-(5-bromothiophen-2-yl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684961
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 92906236

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine (CID 39903994) is 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine is C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine?
The InChIKey is SCTYNRKBRUGZJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19BrN2O2S2/c1-13(14-5-3-2-4-6-14)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h2-8,13H,9-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine?
1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine has a molecular weight of 415.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine is sourced from PubChem (CID 39903994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).