N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C15H29N3O2S — CID 119588684

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCC(C)CC(CN)NC(=O)CSCC(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O2S/c1-12(2)8-13(9-16)17-14(19)10-21-11-15(20)18-6-4-3-5-7-18/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyYMUXDDNHINBFJN-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.22
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 119588684) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID119588684
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCC(C)CC(CN)NC(=O)CSCC(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O2S/c1-12(2)8-13(9-16)17-14(19)10-21-11-15(20)18-6-4-3-5-7-18/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyYMUXDDNHINBFJN-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
4-amino-3-(2-methylpropylamino)-1-piperidin-1-ylbutan-1-one
CID 66431528
2-(3-methylbutylsulfanyl)-1-piperidin-1-ylethanone
CID 146333641
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
2-(3-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66227467
2-(3-aminobutylsulfanyl)-1-(azocan-1-yl)ethanone
CID 66232817
N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119591812
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 119588684) is N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is CC(C)CC(CN)NC(=O)CSCC(=O)N1CCCCC1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is YMUXDDNHINBFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-12(2)8-13(9-16)17-14(19)10-21-11-15(20)18-6-4-3-5-7-18/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 315.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 119588684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).