(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride

C10H16BrClN2OS — CID 119276581

IUPAC(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-2-8(12)10(14)13-6-5-7-3-4-9(11)15-7;/h3-4,8H,2,5-6,12H2,1H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyBHCCKTIVTUEJNW-QRPNPIFTSA-N
MW327.68 g/mol
LogP2.33
Rot. Bonds5

About (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride (PubChem CID 119276581) has the molecular formula C10H16BrClN2OS and a molecular weight of 327.68 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
PubChem CID119276581
Molecular FormulaC10H16BrClN2OS
Molecular Weight327.68 g/mol
Exact Mass325.99
IUPAC Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCCc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-2-8(12)10(14)13-6-5-7-3-4-9(11)15-7;/h3-4,8H,2,5-6,12H2,1H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyBHCCKTIVTUEJNW-QRPNPIFTSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2-carbamothioylbutanamide
CID 114139154
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 95764593
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride (CID 119276581) is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCCc1ccc(Br)s1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride?
The InChIKey is BHCCKTIVTUEJNW-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15BrN2OS.ClH/c1-2-8(12)10(14)13-6-5-7-3-4-9(11)15-7;/h3-4,8H,2,5-6,12H2,1H3,(H,13,14);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119276581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).