2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride

C10H23ClN2OS — CID 120829687

IUPAC2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C10H22N2OS.ClH/c1-8(11-5)6-12-9(13)7-14-10(2,3)4;/h8,11H,6-7H2,1-5H3,(H,12,13);1H
InChIKeyCTKMDCSXIAGRAN-UHFFFAOYSA-N
MW254.83 g/mol
LogP1.66
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120829687) has the molecular formula C10H23ClN2OS and a molecular weight of 254.83 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120829687
Molecular FormulaC10H23ClN2OS
Molecular Weight254.83 g/mol
Exact Mass254.12
IUPAC Name2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C10H22N2OS.ClH/c1-8(11-5)6-12-9(13)7-14-10(2,3)4;/h8,11H,6-7H2,1-5H3,(H,12,13);1H
InChIKeyCTKMDCSXIAGRAN-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.83
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
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2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
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N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
4-[(2-tert-butylsulfanylacetyl)amino]-3-ethoxybutanoic acid
CID 114226857
2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120828236
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
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3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
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N-(3-aminopropyl)-2-tert-butylsulfanylacetamide
CID 62268274

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120829687) is 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)CSC(C)(C)C.Cl.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is CTKMDCSXIAGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS.ClH/c1-8(11-5)6-12-9(13)7-14-10(2,3)4;/h8,11H,6-7H2,1-5H3,(H,12,13);1H.
What are the key properties of 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 254.83 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120829687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).