(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride

C10H16BrClN2OS — CID 119309779

IUPAC(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1sccc1Br.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-6(2)9(12)10(14)13-5-8-7(11)3-4-15-8;/h3-4,6,9H,5,12H2,1-2H3,(H,13,14);1H/t9-;/m0./s1
InChIKeySEIOGQGAUJPQPV-FVGYRXGTSA-N
MW327.68 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride (PubChem CID 119309779) has the molecular formula C10H16BrClN2OS and a molecular weight of 327.68 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
PubChem CID119309779
Molecular FormulaC10H16BrClN2OS
Molecular Weight327.68 g/mol
Exact Mass325.99
IUPAC Name(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NCc1sccc1Br.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-6(2)9(12)10(14)13-5-8-7(11)3-4-15-8;/h3-4,6,9H,5,12H2,1-2H3,(H,13,14);1H/t9-;/m0./s1
InChIKeySEIOGQGAUJPQPV-FVGYRXGTSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 81079533
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
CID 78983667
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride (CID 119309779) is (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)NCc1sccc1Br.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride?
The InChIKey is SEIOGQGAUJPQPV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15BrN2OS.ClH/c1-6(2)9(12)10(14)13-5-8-7(11)3-4-15-8;/h3-4,6,9H,5,12H2,1-2H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119309779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).