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

C13H18N2OS — CID 80725565

IUPAC2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2N)CCCS1
InChIInChI=1S/C13H18N2OS/c1-13(7-4-8-17-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16)
InChIKeyLSFLBZCMNJNPRZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.28
Rot. Bonds3

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

2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 80725565) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID80725565
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2N)CCCS1
InChIInChI=1S/C13H18N2OS/c1-13(7-4-8-17-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16)
InChIKeyLSFLBZCMNJNPRZ-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.28
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-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726810
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80743131
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245860
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
2-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]-3-nitrobenzamide
CID 115936896
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 80725565) is 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccccc2N)CCCS1.
What is the InChIKey of 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is LSFLBZCMNJNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-13(7-4-8-17-13)9-15-12(16)10-5-2-3-6-11(10)14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide?
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 80725565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).