N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide

C13H24N2OS — CID 106995402

IUPACN-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
SMILESCC1CC(NC(=O)CC2CCSCC2)CCN1
InChIInChI=1S/C13H24N2OS/c1-10-8-12(2-5-14-10)15-13(16)9-11-3-6-17-7-4-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyZGHGOKVPCHZWAY-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.78
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide

N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide (PubChem CID 106995402) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
PubChem CID106995402
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
SMILESCC1CC(NC(=O)CC2CCSCC2)CCN1
InChIInChI=1S/C13H24N2OS/c1-10-8-12(2-5-14-10)15-13(16)9-11-3-6-17-7-4-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyZGHGOKVPCHZWAY-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
CID 24819265
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
Butyramide, N-cyclohexyl-2-ethyl-2-ethylthio-
CID 48200
N-cyclopropyl-3-{1-[3-(methylthio)propanoyl]-4-piperidinyl}propanamide
CID 24817520
N~1~-{[(3S,4R)-3-(Dimethylamino)-1-tetrahydro-2H-thiopyran-4-ylhexahydro-4-pyridinyl]methyl}-1-cyclopropanecarboxamide
CID 91920946
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
2-[2-(2-aminoethylsulfanyl)propan-2-yl]-4-fluoro-4-methyl-N-propan-2-ylpentanamide
CID 129179782
Sdccgsbi-0107791.P001
CID 28356623
2-Thiomorpholin-3-yl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 66421517
2-thiomorpholin-3-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119942517
N-cyclopropyl-3-[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]propanamide
CID 42195893
1'-methyl-N-[3-(methylthio)propyl]-1,4'-bipiperidine-3-carboxamide
CID 45236177

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide (CID 106995402) is N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide is CC1CC(NC(=O)CC2CCSCC2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide?
The InChIKey is ZGHGOKVPCHZWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-8-12(2-5-14-10)15-13(16)9-11-3-6-17-7-4-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide?
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 106995402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).