N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide

C12H22N2OS — CID 114628059

IUPACN-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
SMILESC=CCC(C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H22N2OS/c1-3-4-10(2)14-12(15)9-16-11-5-7-13-8-6-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyNIACCDKJACJPRZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.55
Rot. Bonds6

About N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide

N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628059) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628059
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
SMILESC=CCC(C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H22N2OS/c1-3-4-10(2)14-12(15)9-16-11-5-7-13-8-6-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyNIACCDKJACJPRZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693
methyl (2S)-3-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoate
CID 104940371
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627675
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
CID 114626748
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide (CID 114628059) is N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide is C=CCC(C)NC(=O)CSC1CCNCC1.
What is the InChIKey of N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is NIACCDKJACJPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-4-10(2)14-12(15)9-16-11-5-7-13-8-6-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide?
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).