3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide

C11H16N2O2S — CID 66105071

IUPAC3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
SMILESCC(CO)CSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N2O2S/c1-7(5-14)6-16-10-3-2-8(11(13)15)4-9(10)12/h2-4,7,14H,5-6,12H2,1H3,(H2,13,15)
InChIKeyRFHPWTZOQCRHSK-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.09
Rot. Bonds5

About 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide

3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide (PubChem CID 66105071) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
PubChem CID66105071
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
SMILESCC(CO)CSc1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H16N2O2S/c1-7(5-14)6-16-10-3-2-8(11(13)15)4-9(10)12/h2-4,7,14H,5-6,12H2,1H3,(H2,13,15)
InChIKeyRFHPWTZOQCRHSK-UHFFFAOYSA-N
XLogP1.09
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzamide
CID 82989698
3-amino-4-propylsulfanylbenzamide
CID 43448627
3-(2-amino-4-nitrophenyl)sulfanyl-2-methylpropan-1-ol
CID 66105283
3-amino-4-pentylsulfanylbenzamide
CID 107747782
3-amino-4-(2-methoxyethylsulfanyl)benzamide
CID 43448635
4-amino-3-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dimethylbenzamide
CID 66103743
3-amino-4-(2,3-dihydroxypropylsulfanyl)-N,N-dimethylbenzamide
CID 82990247
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
3-chloro-N'-hydroxy-4-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112739
2-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzoic acid
CID 104501169
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide (CID 66105071) is 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide is CC(CO)CSc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide?
The InChIKey is RFHPWTZOQCRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(5-14)6-16-10-3-2-8(11(13)15)4-9(10)12/h2-4,7,14H,5-6,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide?
3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide has a molecular weight of 240.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide is sourced from PubChem (CID 66105071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).