(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide

C17H28N2OS — CID 95318380

IUPAC(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
SMILESCCC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C17H28N2OS/c1-3-6-14(2)17(20)18-11-15-7-4-9-19(12-15)13-16-8-5-10-21-16/h5,8,10,14-15H,3-4,6-7,9,11-13H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyIUXLYECLRJBZAW-GJZGRUSLSA-N
MW308.49 g/mol
LogP3.51
Rot. Bonds7

About (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide

(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide (PubChem CID 95318380) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
PubChem CID95318380
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
SMILESCCC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C17H28N2OS/c1-3-6-14(2)17(20)18-11-15-7-4-9-19(12-15)13-16-8-5-10-21-16/h5,8,10,14-15H,3-4,6-7,9,11-13H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyIUXLYECLRJBZAW-GJZGRUSLSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
2-(3-methylphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215548
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-(1-hydroxybutan-2-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 110910670
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-butan-2-yl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110943681
4-bromo-5-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56564994
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60605733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide?
The IUPAC name of (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide (CID 95318380) is (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide?
The canonical SMILES for (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide is CCC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1.
What is the InChIKey of (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide?
The InChIKey is IUXLYECLRJBZAW-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-6-14(2)17(20)18-11-15-7-4-9-19(12-15)13-16-8-5-10-21-16/h5,8,10,14-15H,3-4,6-7,9,11-13H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide?
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide has a molecular weight of 308.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 95318380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).