N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide

C15H22N2OS — CID 114626861

IUPACN-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cccc(CNC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C15H22N2OS/c1-12-3-2-4-13(9-12)10-17-15(18)11-19-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyZCNMQZTYWSFDGV-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626861) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626861
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cccc(CNC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C15H22N2OS/c1-12-3-2-4-13(9-12)10-17-15(18)11-19-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyZCNMQZTYWSFDGV-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569128
N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627831
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
N-methyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114628337
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627772
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626703
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-benzyl-2-piperidin-3-ylsulfanylacetamide
CID 84754963
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626861) is N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide is Cc1cccc(CNC(=O)CSC2CCNCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is ZCNMQZTYWSFDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-3-2-4-13(9-12)10-17-15(18)11-19-14-5-7-16-8-6-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).