1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine

C10H15BrN2O2S2 — CID 54947870

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-12-8-2-5-13(6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyQIVIVTRUWWRVOI-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine

1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 54947870) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID54947870
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C10H15BrN2O2S2/c1-12-8-2-5-13(6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyQIVIVTRUWWRVOI-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(thiophene-2-sulfonyl)piperidin-3-amine hydrochloride
CID 119031353
2-[(R)-1-(2-thienylsulfonyl)-2-piperidyl]ethylamine
CID 28706336
1-((5-Bromothiophen-2-yl)sulfonyl)-2-methylpiperidine
CID 6468880
5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide
CID 22772584
5-bromo-N-[4-[methyl(propan-2-yl)amino]butyl]thiophene-2-sulfonamide
CID 56161896
N-(piperidin-4-yl)thiophene-2-sulfonamide
CID 16227267
N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]methanesulfonamide
CID 21037030
4,5-dibromo-N-methyl-N-[4-[(2R)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide
CID 54355423
4,5-dibromo-N-methyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butan-2-yl]thiophene-2-sulfonamide
CID 57279786
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidin-3-amine
CID 59833194
N-methyl-1-thiophen-2-ylsulfonylpiperidin-3-amine
CID 62536953
N-[(3R)-1-methylpiperidin-3-yl]thiophene-2-sulfonamide
CID 68065515

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine (CID 54947870) is 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is QIVIVTRUWWRVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-12-8-2-5-13(6-3-8)17(14,15)10-9(11)4-7-16-10/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 339.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 54947870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).