3-amino-2-(2-methylbutylsulfanyl)benzamide

C12H18N2OS — CID 107753004

IUPAC3-amino-2-(2-methylbutylsulfanyl)benzamide
SMILESCCC(C)CSc1c(N)cccc1C(N)=O
InChIInChI=1S/C12H18N2OS/c1-3-8(2)7-16-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyNQFGTMRXMJIFJZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.51
Rot. Bonds5

About 3-amino-2-(2-methylbutylsulfanyl)benzamide

3-amino-2-(2-methylbutylsulfanyl)benzamide (PubChem CID 107753004) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-amino-2-(2-methylbutylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-methylbutylsulfanyl)benzamide
PubChem CID107753004
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-amino-2-(2-methylbutylsulfanyl)benzamide
SMILESCCC(C)CSc1c(N)cccc1C(N)=O
InChIInChI=1S/C12H18N2OS/c1-3-8(2)7-16-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyNQFGTMRXMJIFJZ-UHFFFAOYSA-N
XLogP2.51
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.51
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

methyl 2-amino-3-(2-methylbutylsulfanyl)benzoate
CID 107752994
3-(2-amino-6-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 115551305
methyl 3-amino-2-(2,3-dihydroxypropylsulfanyl)benzoate
CID 112580224
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
3-amino-2-(1-phenylethyl)benzamide
CID 135263539
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylbutylsulfanyl)benzamide?
The IUPAC name of 3-amino-2-(2-methylbutylsulfanyl)benzamide (CID 107753004) is 3-amino-2-(2-methylbutylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-2-(2-methylbutylsulfanyl)benzamide?
The canonical SMILES for 3-amino-2-(2-methylbutylsulfanyl)benzamide is CCC(C)CSc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2-methylbutylsulfanyl)benzamide?
The InChIKey is NQFGTMRXMJIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-8(2)7-16-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-2-(2-methylbutylsulfanyl)benzamide?
3-amino-2-(2-methylbutylsulfanyl)benzamide has a molecular weight of 238.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylbutylsulfanyl)benzamide is sourced from PubChem (CID 107753004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).