(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide

C8H10BrNO3S2 — CID 94216030

IUPAC(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(N)=O)S(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C8H10BrNO3S2/c1-5(8(10)11)15(12,13)4-6-2-3-7(9)14-6/h2-3,5H,4H2,1H3,(H2,10,11)/t5-/m1/s1
InChIKeyPYJUUDMSMNPYDZ-RXMQYKEDSA-N
MW312.21 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide

(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide (PubChem CID 94216030) has the molecular formula C8H10BrNO3S2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide
PubChem CID94216030
Molecular FormulaC8H10BrNO3S2
Molecular Weight312.21 g/mol
Exact Mass310.93
IUPAC Name(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(N)=O)S(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C8H10BrNO3S2/c1-5(8(10)11)15(12,13)4-6-2-3-7(9)14-6/h2-3,5H,4H2,1H3,(H2,10,11)/t5-/m1/s1
InChIKeyPYJUUDMSMNPYDZ-RXMQYKEDSA-N
XLogP1.30
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258870
1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide
CID 91128885
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923
(2S)-2-[(5-bromothiophen-2-yl)methoxy]propanoic acid
CID 104875968
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide (CID 94216030) is (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide is C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(Br)s1.
What is the InChIKey of (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide?
The InChIKey is PYJUUDMSMNPYDZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrNO3S2/c1-5(8(10)11)15(12,13)4-6-2-3-7(9)14-6/h2-3,5H,4H2,1H3,(H2,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide?
(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide has a molecular weight of 312.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 94216030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).