2-(2-aminopropylsulfanylmethyl)benzamide

C11H16N2OS — CID 66218202

IUPAC2-(2-aminopropylsulfanylmethyl)benzamide
SMILESCC(N)CSCc1ccccc1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-8(12)6-15-7-9-4-2-3-5-10(9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14)
InChIKeySTXUXPOFFRIXDI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-aminopropylsulfanylmethyl)benzamide

2-(2-aminopropylsulfanylmethyl)benzamide (PubChem CID 66218202) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanylmethyl)benzamide
PubChem CID66218202
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-aminopropylsulfanylmethyl)benzamide
SMILESCC(N)CSCc1ccccc1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-8(12)6-15-7-9-4-2-3-5-10(9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14)
InChIKeySTXUXPOFFRIXDI-UHFFFAOYSA-N
XLogP1.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-carbamoylphenyl)methylsulfanyl]-2-methylpropanoate
CID 66113999
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
CID 156768959
4-(2-aminopropylsulfanylmethyl)-3-methylbenzamide
CID 114483896
1-[(2-nitrophenyl)methylsulfanyl]propan-2-amine
CID 66217252
(2R)-2-amino-3-[(2-methoxycarbonylphenyl)methylsulfanyl]propanoic acid
CID 70542602
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
2-[(2-amino-2-oxoethyl)sulfanylmethyl]benzoic acid
CID 82177510
2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
CID 81189474

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanylmethyl)benzamide?
The IUPAC name of 2-(2-aminopropylsulfanylmethyl)benzamide (CID 66218202) is 2-(2-aminopropylsulfanylmethyl)benzamide.
What is the SMILES notation for 2-(2-aminopropylsulfanylmethyl)benzamide?
The canonical SMILES for 2-(2-aminopropylsulfanylmethyl)benzamide is CC(N)CSCc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-aminopropylsulfanylmethyl)benzamide?
The InChIKey is STXUXPOFFRIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(12)6-15-7-9-4-2-3-5-10(9)11(13)14/h2-5,8H,6-7,12H2,1H3,(H2,13,14).
What are the key properties of 2-(2-aminopropylsulfanylmethyl)benzamide?
2-(2-aminopropylsulfanylmethyl)benzamide has a molecular weight of 224.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanylmethyl)benzamide is sourced from PubChem (CID 66218202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).