1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine

C9H13BrN2O2S2 — CID 115300299

IUPAC1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C9H13BrN2O2S2/c1-11-7-2-4-12(6-7)16(13,14)9-8(10)3-5-15-9/h3,5,7,11H,2,4,6H2,1H3
InChIKeyCSPFZMOAAICDAT-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.49
Rot. Bonds3

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

1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine (PubChem CID 115300299) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
PubChem CID115300299
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC Name1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C9H13BrN2O2S2/c1-11-7-2-4-12(6-7)16(13,14)9-8(10)3-5-15-9/h3,5,7,11H,2,4,6H2,1H3
InChIKeyCSPFZMOAAICDAT-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 113228721
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
N-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 61073192
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 103931361

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine (CID 115300299) is 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2sccc2Br)C1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine?
The InChIKey is CSPFZMOAAICDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c1-11-7-2-4-12(6-7)16(13,14)9-8(10)3-5-15-9/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine?
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine has a molecular weight of 325.25 g/mol, XLogP of 1.49, 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-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).