(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide

C7H8BrClN2OS — CID 102841382

IUPAC(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H8BrClN2OS/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m1/s1
InChIKeyIVACEXZSSGNYMR-SCSAIBSYSA-N
MW283.58 g/mol
LogP2.04
Rot. Bonds3

About (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide

(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide (PubChem CID 102841382) has the molecular formula C7H8BrClN2OS and a molecular weight of 283.58 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
PubChem CID102841382
Molecular FormulaC7H8BrClN2OS
Molecular Weight283.58 g/mol
Exact Mass281.92
IUPAC Name(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H8BrClN2OS/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m1/s1
InChIKeyIVACEXZSSGNYMR-SCSAIBSYSA-N
XLogP2.04
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
5-amino-5-(4-bromo-5-chlorothiophen-2-yl)-3-methylpentanoic acid
CID 102828955
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
CID 83230219
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
3-(4-bromo-5-chlorothiophen-2-yl)-3-(diethylamino)propanoic acid
CID 102844851
ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
CID 102764308
(2S)-2-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoic acid
CID 102841274
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
CID 78986249

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide (CID 102841382) is (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide is NC(=O)C[C@@H](N)c1cc(Br)c(Cl)s1.
What is the InChIKey of (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide?
The InChIKey is IVACEXZSSGNYMR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8BrClN2OS/c8-3-1-5(13-7(3)9)4(10)2-6(11)12/h1,4H,2,10H2,(H2,11,12)/t4-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide?
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide has a molecular weight of 283.58 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 102841382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).