methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate

C14H26N2O3S — CID 114626748

IUPACmethyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C14H26N2O3S/c1-10(2)8-12(14(18)19-3)16-13(17)9-20-11-4-6-15-7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyDCSSJBZXPSUDOG-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.18
Rot. Bonds7

About methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate

methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate (PubChem CID 114626748) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
PubChem CID114626748
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Namemethyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C14H26N2O3S/c1-10(2)8-12(14(18)19-3)16-13(17)9-20-11-4-6-15-7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyDCSSJBZXPSUDOG-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-3-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoate
CID 104940371
methyl 4-methyl-2-[[2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetyl]amino]pentanoate
CID 78328925
N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627675
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693
methyl (2S)-2-(3-aminopropanoylamino)-4-methylpentanoate
CID 103954799
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
CID 114628059
4-methylsulfonyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoic acid
CID 114627170

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate (CID 114626748) is methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)CSC1CCNCC1.
What is the InChIKey of methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate?
The InChIKey is DCSSJBZXPSUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-10(2)8-12(14(18)19-3)16-13(17)9-20-11-4-6-15-7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate?
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate has a molecular weight of 302.44 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate is sourced from PubChem (CID 114626748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).