(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride

C11H19ClN2OS — CID 119291761

IUPAC(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)[C@@H](N)CC)s1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-3-8-5-6-9(15-8)7-13-11(14)10(12)4-2;/h5-6,10H,3-4,7,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyUVYCZIGGKGYMEN-PPHPATTJSA-N
MW262.81 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride

(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride (PubChem CID 119291761) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
PubChem CID119291761
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)[C@@H](N)CC)s1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-3-8-5-6-9(15-8)7-13-11(14)10(12)4-2;/h5-6,10H,3-4,7,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyUVYCZIGGKGYMEN-PPHPATTJSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 94106356
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride (CID 119291761) is (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride is CCc1ccc(CNC(=O)[C@@H](N)CC)s1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is UVYCZIGGKGYMEN-PPHPATTJSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-3-8-5-6-9(15-8)7-13-11(14)10(12)4-2;/h5-6,10H,3-4,7,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 2.09, 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-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119291761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).