N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C17H26N2OS — CID 114626837

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C17H26N2OS/c1-12-4-5-13(2)16(10-12)14(3)19-17(20)11-21-15-6-8-18-9-7-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyUXNIBXMPKKIABU-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626837) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626837
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CSC2CCNCC2)c1
InChIInChI=1S/C17H26N2OS/c1-12-4-5-13(2)16(10-12)14(3)19-17(20)11-21-15-6-8-18-9-7-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyUXNIBXMPKKIABU-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101
N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626861
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626837) is N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is Cc1ccc(C)c(C(C)NC(=O)CSC2CCNCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is UXNIBXMPKKIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-4-5-13(2)16(10-12)14(3)19-17(20)11-21-15-6-8-18-9-7-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 306.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).