3-amino-5-methoxy-N-(thiolan-3-yl)benzamide

C12H16N2O2S — CID 103062202

IUPAC3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCSC2)c1
InChIInChI=1S/C12H16N2O2S/c1-16-11-5-8(4-9(13)6-11)12(15)14-10-2-3-17-7-10/h4-6,10H,2-3,7,13H2,1H3,(H,14,15)
InChIKeyOYECXQXPVRAAKE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.51
Rot. Bonds3

About 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide

3-amino-5-methoxy-N-(thiolan-3-yl)benzamide (PubChem CID 103062202) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
PubChem CID103062202
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCSC2)c1
InChIInChI=1S/C12H16N2O2S/c1-16-11-5-8(4-9(13)6-11)12(15)14-10-2-3-17-7-10/h4-6,10H,2-3,7,13H2,1H3,(H,14,15)
InChIKeyOYECXQXPVRAAKE-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
4-amino-3,5-dichloro-N-(thian-3-yl)benzamide
CID 115869160
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
CID 78985061

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide (CID 103062202) is 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide is COc1cc(N)cc(C(=O)NC2CCSC2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide?
The InChIKey is OYECXQXPVRAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-11-5-8(4-9(13)6-11)12(15)14-10-2-3-17-7-10/h4-6,10H,2-3,7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide?
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide has a molecular weight of 252.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103062202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).