3-amino-4-propylsulfanylbenzamide

C10H14N2OS — CID 43448627

IUPAC3-amino-4-propylsulfanylbenzamide
SMILESCCCSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H14N2OS/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyWWWBVZHUUDJKFR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-4-propylsulfanylbenzamide

3-amino-4-propylsulfanylbenzamide (PubChem CID 43448627) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-amino-4-propylsulfanylbenzamide.

Molecular Properties

Compound Name3-amino-4-propylsulfanylbenzamide
PubChem CID43448627
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-amino-4-propylsulfanylbenzamide
SMILESCCCSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C10H14N2OS/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13)
InChIKeyWWWBVZHUUDJKFR-UHFFFAOYSA-N
XLogP1.87
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-pentylsulfanylbenzamide
CID 107747782
3-amino-4-(2-methoxyethylsulfanyl)benzamide
CID 43448635
3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
CID 66105071
methyl 3-amino-4-pentylsulfanylbenzoate
CID 107752910
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(3-hydroxypropylsulfanyl)benzoic acid
CID 66126171
2-propylsulfanylpyridine-4-carboxamide
CID 22298978
3-(2-amino-4-methoxycarbonylphenyl)sulfanylpropanoic acid
CID 145147902
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
ethane;2-propylsulfanylaniline
CID 143337712
3-amino-4-(butan-2-ylsulfanylmethyl)benzamide
CID 43377238
3-amino-4-(ethylamino)benzamide
CID 43448330

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propylsulfanylbenzamide?
The IUPAC name of 3-amino-4-propylsulfanylbenzamide (CID 43448627) is 3-amino-4-propylsulfanylbenzamide.
What is the SMILES notation for 3-amino-4-propylsulfanylbenzamide?
The canonical SMILES for 3-amino-4-propylsulfanylbenzamide is CCCSc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-propylsulfanylbenzamide?
The InChIKey is WWWBVZHUUDJKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H2,12,13).
What are the key properties of 3-amino-4-propylsulfanylbenzamide?
3-amino-4-propylsulfanylbenzamide has a molecular weight of 210.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propylsulfanylbenzamide is sourced from PubChem (CID 43448627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).