2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide

C14H19ClN2OS — CID 107027003

IUPAC2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
SMILESCN1CCCCC1CNC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-17-7-3-2-4-10(17)9-16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyODLMFDSVBZKWHO-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide

2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide (PubChem CID 107027003) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
PubChem CID107027003
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
SMILESCN1CCCCC1CNC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-17-7-3-2-4-10(17)9-16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyODLMFDSVBZKWHO-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.84
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

2-bromo-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107027005
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
2-chloro-N-[(4-ethylcyclohexyl)methyl]-5-sulfanylbenzamide
CID 107027247
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide (CID 107027003) is 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide is CN1CCCCC1CNC(=O)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide?
The InChIKey is ODLMFDSVBZKWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-17-7-3-2-4-10(17)9-16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide?
2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide has a molecular weight of 298.84 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107027003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).