(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide

C12H17BrN2O3S2 — CID 32836178

IUPAC(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2O3S2/c1-2-7-14-12(16)9-4-3-8-15(9)20(17,18)11-6-5-10(13)19-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYFCVHUMJAKEHOK-SECBINFHSA-N
MW381.32 g/mol
LogP2.19
Rot. Bonds5

About (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide

(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 32836178) has the molecular formula C12H17BrN2O3S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
PubChem CID32836178
Molecular FormulaC12H17BrN2O3S2
Molecular Weight381.32 g/mol
Exact Mass379.99
IUPAC Name(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2O3S2/c1-2-7-14-12(16)9-4-3-8-15(9)20(17,18)11-6-5-10(13)19-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYFCVHUMJAKEHOK-SECBINFHSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 24627371
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 24627635
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24665031
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 24663293
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 25493284

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide (CID 32836178) is (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is YFCVHUMJAKEHOK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN2O3S2/c1-2-7-14-12(16)9-4-3-8-15(9)20(17,18)11-6-5-10(13)19-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 32836178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).