N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide

C13H20N2OS — CID 120650563

IUPACN-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1SC
InChIInChI=1S/C13H20N2OS/c1-4-14-10(2)9-15-13(16)11-7-5-6-8-12(11)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyOCVHOCSXOSXAJC-SNVBAGLBSA-N
MW252.38 g/mol
LogP2.14
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide

N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide (PubChem CID 120650563) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
PubChem CID120650563
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1SC
InChIInChI=1S/C13H20N2OS/c1-4-14-10(2)9-15-13(16)11-7-5-6-8-12(11)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyOCVHOCSXOSXAJC-SNVBAGLBSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 120651172
2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide (CID 120650563) is N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide is CCN[C@H](C)CNC(=O)c1ccccc1SC.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide?
The InChIKey is OCVHOCSXOSXAJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-14-10(2)9-15-13(16)11-7-5-6-8-12(11)17-3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide?
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide has a molecular weight of 252.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 120650563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).