3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide

C10H15BrN2OS — CID 94156069

IUPAC3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sccc1Br)N(C)C
InChIInChI=1S/C10H15BrN2OS/c1-7(13(2)3)6-12-10(14)9-8(11)4-5-15-9/h4-5,7H,6H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyRYTYTFLAHIGSHU-ZETCQYMHSA-N
MW291.21 g/mol
LogP2.19
Rot. Bonds4

About 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide

3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide (PubChem CID 94156069) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
PubChem CID94156069
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESC[C@@H](CNC(=O)c1sccc1Br)N(C)C
InChIInChI=1S/C10H15BrN2OS/c1-7(13(2)3)6-12-10(14)9-8(11)4-5-15-9/h4-5,7H,6H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyRYTYTFLAHIGSHU-ZETCQYMHSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-[2-(dimethylamino)propyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796281
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide (CID 94156069) is 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide is C[C@@H](CNC(=O)c1sccc1Br)N(C)C.
What is the InChIKey of 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide?
The InChIKey is RYTYTFLAHIGSHU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7(13(2)3)6-12-10(14)9-8(11)4-5-15-9/h4-5,7H,6H2,1-3H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide?
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide has a molecular weight of 291.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 94156069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).