4-(3-aminopropylsulfanylmethyl)benzamide

C11H16N2OS — CID 66219578

IUPAC4-(3-aminopropylsulfanylmethyl)benzamide
SMILESNCCCSCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2OS/c12-6-1-7-15-8-9-2-4-10(5-3-9)11(13)14/h2-5H,1,6-8,12H2,(H2,13,14)
InChIKeyAJDTWMGEPAMUEC-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.37
Rot. Bonds6

About 4-(3-aminopropylsulfanylmethyl)benzamide

4-(3-aminopropylsulfanylmethyl)benzamide (PubChem CID 66219578) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(3-aminopropylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-aminopropylsulfanylmethyl)benzamide
PubChem CID66219578
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-(3-aminopropylsulfanylmethyl)benzamide
SMILESNCCCSCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16N2OS/c12-6-1-7-15-8-9-2-4-10(5-3-9)11(13)14/h2-5H,1,6-8,12H2,(H2,13,14)
InChIKeyAJDTWMGEPAMUEC-UHFFFAOYSA-N
XLogP1.37
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminobutylsulfanylmethyl)benzamide
CID 66233693
4-[(3-amino-2-methylpropyl)sulfanylmethyl]benzamide
CID 66226072
2-[4-(3-aminopropylsulfanylmethyl)phenyl]propanoic acid
CID 105345242
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-amine
CID 58684174
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
3-(3-aminopropylsulfanylmethyl)benzohydrazide
CID 66219490
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
propan-2-yl 4-(2-aminoethylsulfanylmethyl)benzoate
CID 82179930
4-(3-phenylpropylsulfanylmethyl)benzoic acid
CID 82178239
4-(3-hydroxypropylsulfanylmethyl)benzenecarboximidamide
CID 66113210
4-[(4-nitrophenyl)methylsulfanyl]butan-1-amine
CID 82180233

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylsulfanylmethyl)benzamide?
The IUPAC name of 4-(3-aminopropylsulfanylmethyl)benzamide (CID 66219578) is 4-(3-aminopropylsulfanylmethyl)benzamide.
What is the SMILES notation for 4-(3-aminopropylsulfanylmethyl)benzamide?
The canonical SMILES for 4-(3-aminopropylsulfanylmethyl)benzamide is NCCCSCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-aminopropylsulfanylmethyl)benzamide?
The InChIKey is AJDTWMGEPAMUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-6-1-7-15-8-9-2-4-10(5-3-9)11(13)14/h2-5H,1,6-8,12H2,(H2,13,14).
What are the key properties of 4-(3-aminopropylsulfanylmethyl)benzamide?
4-(3-aminopropylsulfanylmethyl)benzamide has a molecular weight of 224.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylsulfanylmethyl)benzamide is sourced from PubChem (CID 66219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).