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

C11H25ClN2OS — CID 120651812

IUPAC2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-6-12-9(2)7-13-10(14)8-15-11(3,4)5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyDVYOVUNIZGZHGK-SBSPUUFOSA-N
MW268.85 g/mol
LogP2.05
Rot. Bonds6

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

2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (PubChem CID 120651812) has the molecular formula C11H25ClN2OS and a molecular weight of 268.85 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
PubChem CID120651812
Molecular FormulaC11H25ClN2OS
Molecular Weight268.85 g/mol
Exact Mass268.14
IUPAC Name2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-6-12-9(2)7-13-10(14)8-15-11(3,4)5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyDVYOVUNIZGZHGK-SBSPUUFOSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829687
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
N-[(2R)-2-(ethylamino)propyl]-2-[methyl(propan-2-yl)amino]acetamide;dihydrochloride
CID 120651076
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
2-(diethylamino)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652043
N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
4-[(2-tert-butylsulfanylacetyl)amino]-3-ethoxybutanoic acid
CID 114226857

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (CID 120651812) is 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is CCN[C@H](C)CNC(=O)CSC(C)(C)C.Cl.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The InChIKey is DVYOVUNIZGZHGK-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H24N2OS.ClH/c1-6-12-9(2)7-13-10(14)8-15-11(3,4)5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride has a molecular weight of 268.85 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120651812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).