N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C12H20N4OS — CID 114628101

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCNCC1)c1ncc[nH]1
InChIInChI=1S/C12H20N4OS/c1-9(12-14-6-7-15-12)16-11(17)8-18-10-2-4-13-5-3-10/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyXAWPDBHRIAIGOM-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.07
Rot. Bonds5

About N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628101) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628101
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCNCC1)c1ncc[nH]1
InChIInChI=1S/C12H20N4OS/c1-9(12-14-6-7-15-12)16-11(17)8-18-10-2-4-13-5-3-10/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyXAWPDBHRIAIGOM-UHFFFAOYSA-N
XLogP1.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627994
N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656612
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 104901495
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914790
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 114628101) is N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is CC(NC(=O)CSC1CCNCC1)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is XAWPDBHRIAIGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(12-14-6-7-15-12)16-11(17)8-18-10-2-4-13-5-3-10/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 268.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).