2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide

C12H20N2OS — CID 106427974

IUPAC2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CC1CCNCC1
InChIInChI=1S/C12H20N2OS/c1-2-8-16-9-7-14-12(15)10-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyANRXNKBBIXJXKU-UHFFFAOYSA-N
MW240.37 g/mol
LogP0.86
Rot. Bonds6

About 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide

2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide (PubChem CID 106427974) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
PubChem CID106427974
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CC1CCNCC1
InChIInChI=1S/C12H20N2OS/c1-2-8-16-9-7-14-12(15)10-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyANRXNKBBIXJXKU-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
1-piperidin-4-ylpent-4-yn-2-one
CID 116559802
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
2-cyclopropyl-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)acetic acid
CID 106431238
4-[(2-prop-2-ynylsulfanylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106430976
3-[(2-piperidin-4-ylacetyl)amino]-N-propan-2-ylpropanamide
CID 113266104
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953
N-[3-(diethylamino)propyl]-2-piperidin-4-ylacetamide
CID 24707221

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The IUPAC name of 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide (CID 106427974) is 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide is C#CCSCCNC(=O)CC1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The InChIKey is ANRXNKBBIXJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-8-16-9-7-14-12(15)10-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15).
What are the key properties of 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide has a molecular weight of 240.37 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide is sourced from PubChem (CID 106427974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).