N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide

C14H19NO2S — CID 107030003

IUPACN-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NO2S/c1-15(9-11-3-2-8-17-10-11)14(16)12-4-6-13(18)7-5-12/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyVUNFOOIZVJQHCX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.47
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide

N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide (PubChem CID 107030003) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
PubChem CID107030003
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NO2S/c1-15(9-11-3-2-8-17-10-11)14(16)12-4-6-13(18)7-5-12/h4-7,11,18H,2-3,8-10H2,1H3
InChIKeyVUNFOOIZVJQHCX-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide (CID 107030003) is N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide is CN(CC1CCCOC1)C(=O)c1ccc(S)cc1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide?
The InChIKey is VUNFOOIZVJQHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-15(9-11-3-2-8-17-10-11)14(16)12-4-6-13(18)7-5-12/h4-7,11,18H,2-3,8-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide?
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide has a molecular weight of 265.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107030003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).