2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride

C13H21ClN2OS — CID 19079137

IUPAC2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCCSc1ccncc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-13(2,3)12(16)15-7-4-10-17-11-5-8-14-9-6-11;/h5-6,8-9H,4,7,10H2,1-3H3,(H,15,16);1H
InChIKeyRMLSIRUUKXJMKC-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.15
Rot. Bonds5

About 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride

2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride (PubChem CID 19079137) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride
PubChem CID19079137
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCCSc1ccncc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-13(2,3)12(16)15-7-4-10-17-11-5-8-14-9-6-11;/h5-6,8-9H,4,7,10H2,1-3H3,(H,15,16);1H
InChIKeyRMLSIRUUKXJMKC-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083
N-(3-pyridin-4-ylsulfanylpropyl)decanamide
CID 15295248
N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231
N-(5-pyridin-4-ylsulfanylpentyl)decanamide
CID 15295254
2-amino-N-(4-pyridin-4-ylsulfanylbutyl)benzamide;dihydrochloride
CID 19079248
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride (CID 19079137) is 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride is CC(C)(C)C(=O)NCCCSc1ccncc1.Cl.
What is the InChIKey of 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride?
The InChIKey is RMLSIRUUKXJMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-13(2,3)12(16)15-7-4-10-17-11-5-8-14-9-6-11;/h5-6,8-9H,4,7,10H2,1-3H3,(H,15,16);1H.
What are the key properties of 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride?
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 19079137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).