N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide

C13H20N2OS — CID 97164135

IUPACN-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCN(C[C@@H]1CCCCN1)C(=O)Cc1ccsc1
InChIInChI=1S/C13H20N2OS/c1-15(9-12-4-2-3-6-14-12)13(16)8-11-5-7-17-10-11/h5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-/m0/s1
InChIKeyBBVXXQSJMOYYRG-LBPRGKRZSA-N
MW252.38 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide

N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 97164135) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID97164135
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCN(C[C@@H]1CCCCN1)C(=O)Cc1ccsc1
InChIInChI=1S/C13H20N2OS/c1-15(9-12-4-2-3-6-14-12)13(16)8-11-5-7-17-10-11/h5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-/m0/s1
InChIKeyBBVXXQSJMOYYRG-LBPRGKRZSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 106614772
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
CID 106627458
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 91797603
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
N-methyl-N-piperidin-3-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641261
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069
tert-butyl 2-[[methyl-(2-thiophen-3-ylacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647669

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide (CID 97164135) is N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide is CN(C[C@@H]1CCCCN1)C(=O)Cc1ccsc1.
What is the InChIKey of N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is BBVXXQSJMOYYRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(9-12-4-2-3-6-14-12)13(16)8-11-5-7-17-10-11/h5,7,10,12,14H,2-4,6,8-9H2,1H3/t12-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide?
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 97164135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).