N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide

C15H22N2OS — CID 106627337

IUPACN-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C15H22N2OS/c1-17(11-12-7-5-6-10-16-12)15(18)13-8-3-4-9-14(13)19-2/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyGIDZFLMENSMZEN-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.62
Rot. Bonds4

About N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide

N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 106627337) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID106627337
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C15H22N2OS/c1-17(11-12-7-5-6-10-16-12)15(18)13-8-3-4-9-14(13)19-2/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyGIDZFLMENSMZEN-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
2-hydroxy-3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607936
1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106627150
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide (CID 106627337) is N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide is CSc1ccccc1C(=O)N(C)CC1CCCCN1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is GIDZFLMENSMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(11-12-7-5-6-10-16-12)15(18)13-8-3-4-9-14(13)19-2/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide?
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 278.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106627337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).