1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine

C10H14BrClN2O2S2 — CID 120715299

IUPAC1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1
InChIInChI=1S/C10H14BrClN2O2S2/c1-13-7-3-2-4-14(6-7)18(15,16)8-5-9(11)17-10(8)12/h5,7,13H,2-4,6H2,1H3
InChIKeyHMEBXEMTIRWLSS-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.54
Rot. Bonds3

About 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine

1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120715299) has the molecular formula C10H14BrClN2O2S2 and a molecular weight of 373.73 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID120715299
Molecular FormulaC10H14BrClN2O2S2
Molecular Weight373.73 g/mol
Exact Mass371.94
IUPAC Name1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1
InChIInChI=1S/C10H14BrClN2O2S2/c1-13-7-3-2-4-14(6-7)18(15,16)8-5-9(11)17-10(8)12/h5,7,13H,2-4,6H2,1H3
InChIKeyHMEBXEMTIRWLSS-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536928
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-[2-bromo-5-(dimethylamino)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714828
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
tert-butyl N-[(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]carbamate
CID 97007657
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
1-[(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124517199
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine (CID 120715299) is 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(Br)sc2Cl)C1.
What is the InChIKey of 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is HMEBXEMTIRWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S2/c1-13-7-3-2-4-14(6-7)18(15,16)8-5-9(11)17-10(8)12/h5,7,13H,2-4,6H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine?
1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 373.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorothiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).