1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine

C13H16BrN3O2S2 — CID 90493930

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C13H16BrN3O2S2/c14-12-1-2-13(20-12)21(18,19)17-6-3-11(4-7-17)9-16-8-5-15-10-16/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyRNUUCRNANDQAKC-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.81
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine

1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 90493930) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
PubChem CID90493930
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C13H16BrN3O2S2/c14-12-1-2-13(20-12)21(18,19)17-6-3-11(4-7-17)9-16-8-5-15-10-16/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyRNUUCRNANDQAKC-UHFFFAOYSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
methyl 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzoate
CID 90493933
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine (CID 90493930) is 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine is O=S(=O)(c1ccc(Br)s1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is RNUUCRNANDQAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c14-12-1-2-13(20-12)21(18,19)17-6-3-11(4-7-17)9-16-8-5-15-10-16/h1-2,5,8,10-11H,3-4,6-7,9H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine?
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 390.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90493930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).