3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C12H18N2OS — CID 63981976

IUPAC3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2OS/c1-9(8-16-2)7-14-12(15)10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyBROHANKTAHDMMC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide

3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63981976) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63981976
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2OS/c1-9(8-16-2)7-14-12(15)10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyBROHANKTAHDMMC-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 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 ≤ 52.00
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-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
3-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63958188
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63981976) is 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is BROHANKTAHDMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(8-16-2)7-14-12(15)10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 238.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63981976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).