(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride

C11H19ClN2OS — CID 119330928

IUPAC(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)[C@H](C)N)s1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-7(13-11(14)9(3)12)6-10-5-4-8(2)15-10;/h4-5,7,9H,6,12H2,1-3H3,(H,13,14);1H/t7?,9-;/m0./s1
InChIKeyCYAAZNCLCBOHOW-ABKGKFHGSA-N
MW262.81 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride

(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride (PubChem CID 119330928) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
PubChem CID119330928
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)[C@H](C)N)s1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-7(13-11(14)9(3)12)6-10-5-4-8(2)15-10;/h4-5,7,9H,6,12H2,1-3H3,(H,13,14);1H/t7?,9-;/m0./s1
InChIKeyCYAAZNCLCBOHOW-ABKGKFHGSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119796717
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119796724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride (CID 119330928) is (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride is Cc1ccc(CC(C)NC(=O)[C@H](C)N)s1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride?
The InChIKey is CYAAZNCLCBOHOW-ABKGKFHGSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-7(13-11(14)9(3)12)6-10-5-4-8(2)15-10;/h4-5,7,9H,6,12H2,1-3H3,(H,13,14);1H/t7?,9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride?
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 1.87, 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-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119330928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).