N-(2-aminopropyl)-2-methylsulfanylbenzamide

C11H16N2OS — CID 79218118

IUPACN-(2-aminopropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)N
InChIInChI=1S/C11H16N2OS/c1-8(12)7-13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyMJWDFKOPIYUIKY-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds4

About N-(2-aminopropyl)-2-methylsulfanylbenzamide

N-(2-aminopropyl)-2-methylsulfanylbenzamide (PubChem CID 79218118) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-methylsulfanylbenzamide
PubChem CID79218118
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(2-aminopropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)N
InChIInChI=1S/C11H16N2OS/c1-8(12)7-13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKeyMJWDFKOPIYUIKY-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-aminopropyl)-2-methylsulfanylbenzamide (CID 79218118) is N-(2-aminopropyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-2-methylsulfanylbenzamide?
The InChIKey is MJWDFKOPIYUIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(12)7-13-11(14)9-5-3-4-6-10(9)15-2/h3-6,8H,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminopropyl)-2-methylsulfanylbenzamide?
N-(2-aminopropyl)-2-methylsulfanylbenzamide has a molecular weight of 224.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79218118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).