N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide

C11H22N2OS — CID 99596160

IUPACN-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
SMILESCS[C@@H](C)CNC(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)8-13-11(14)7-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyBTAOYBTWDGRBMO-VIFPVBQESA-N
MW230.38 g/mol
LogP1.24
Rot. Bonds5

About N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide

N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide (PubChem CID 99596160) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
PubChem CID99596160
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
SMILESCS[C@@H](C)CNC(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)8-13-11(14)7-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyBTAOYBTWDGRBMO-VIFPVBQESA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
CID 65224540
N-[2-(dimethylamino)-4-methylpentyl]-2-piperidin-4-ylacetamide
CID 61274494
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 102561586
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
N-methylsulfanyl-2-piperidin-4-ylacetamide
CID 145013243
3-[(2-piperidin-4-ylacetyl)amino]-N-propan-2-ylpropanamide
CID 113266104
2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
CID 124689334
N-(4-hydroxybutan-2-yl)-2-piperidin-4-ylacetamide
CID 83177313

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide (CID 99596160) is N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide is CS[C@@H](C)CNC(=O)CC1CCNCC1.
What is the InChIKey of N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide?
The InChIKey is BTAOYBTWDGRBMO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(15-2)8-13-11(14)7-10-3-5-12-6-4-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide?
N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide has a molecular weight of 230.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 99596160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).