N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride

C9H21ClN2OS — CID 120506117

IUPACN-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C9H20N2OS.ClH/c1-7(5-10)11-8(12)6-13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyIZNZNCLHXQNTEF-FJXQXJEOSA-N
MW240.80 g/mol
LogP1.40
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride (PubChem CID 120506117) has the molecular formula C9H21ClN2OS and a molecular weight of 240.80 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
PubChem CID120506117
Molecular FormulaC9H21ClN2OS
Molecular Weight240.80 g/mol
Exact Mass240.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C9H20N2OS.ClH/c1-7(5-10)11-8(12)6-13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyIZNZNCLHXQNTEF-FJXQXJEOSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
CID 117126539
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829687
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-2-methylpropanamide
CID 130562063
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120651812
2-[(2-tert-butylsulfanylacetyl)amino]butanoic acid
CID 43469570
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-[(2-tert-butylsulfanylacetyl)amino]-3-methoxypropanoic acid
CID 81076644

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride (CID 120506117) is N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride is C[C@@H](CN)NC(=O)CSC(C)(C)C.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride?
The InChIKey is IZNZNCLHXQNTEF-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H20N2OS.ClH/c1-7(5-10)11-8(12)6-13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride has a molecular weight of 240.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120506117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).