N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide

C14H20N2OS — CID 107026999

IUPACN-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCCC(CNC(=O)c2cccc(S)c2)C1
InChIInChI=1S/C14H20N2OS/c1-16-7-3-4-11(10-16)9-15-14(17)12-5-2-6-13(18)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,15,17)
InChIKeySVMMYVRSVYBSNG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.05
Rot. Bonds3

About N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide

N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107026999) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
PubChem CID107026999
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCCC(CNC(=O)c2cccc(S)c2)C1
InChIInChI=1S/C14H20N2OS/c1-16-7-3-4-11(10-16)9-15-14(17)12-5-2-6-13(18)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,15,17)
InChIKeySVMMYVRSVYBSNG-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
CID 96501882
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
3-[3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76907329
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide (CID 107026999) is N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide is CN1CCCC(CNC(=O)c2cccc(S)c2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is SVMMYVRSVYBSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16-7-3-4-11(10-16)9-15-14(17)12-5-2-6-13(18)8-12/h2,5-6,8,11,18H,3-4,7,9-10H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide?
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107026999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).