2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide

C14H20N2OS — CID 80726810

IUPAC2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C14H20N2OS/c1-10-5-3-6-11(15)12(10)13(17)16-9-14(2)7-4-8-18-14/h3,5-6H,4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCGNYFSNNPABKFV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide

2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 80726810) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID80726810
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C14H20N2OS/c1-10-5-3-6-11(15)12(10)13(17)16-9-14(2)7-4-8-18-14/h3,5-6H,4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCGNYFSNNPABKFV-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.59
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

2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
2-amino-6-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63822358
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
3-[[(2R)-2-methylthiolan-2-yl]methylcarbamoyl]benzoic acid
CID 124592899
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245860
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
4-fluoro-3-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80528467
4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 80726234
(E)-3-[3-[(2-methylthiolan-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 80743998

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 80726810) is 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide is Cc1cccc(N)c1C(=O)NCC1(C)CCCS1.
What is the InChIKey of 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is CGNYFSNNPABKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-5-3-6-11(15)12(10)13(17)16-9-14(2)7-4-8-18-14/h3,5-6H,4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide?
2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 80726810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).