3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one

C14H28N2OS — CID 56721562

IUPAC3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCSCC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H28N2OS/c1-4-18-11-13(3)15-8-5-14(17)16-9-6-12(2)7-10-16/h12-13,15H,4-11H2,1-3H3
InChIKeyGWFYCVIFNPJQKU-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.37
Rot. Bonds7

About 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 56721562) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID56721562
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCSCC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H28N2OS/c1-4-18-11-13(3)15-8-5-14(17)16-9-6-12(2)7-10-16/h12-13,15H,4-11H2,1-3H3
InChIKeyGWFYCVIFNPJQKU-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
CID 24819265
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
1-cyclopentyl-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45194130
N~1~-{[(3S,4R)-3-(Dimethylamino)-1-tetrahydro-2H-thiopyran-4-ylhexahydro-4-pyridinyl]methyl}-1-cyclopropanecarboxamide
CID 91920946
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
CID 71864577
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
CID 71976333
N-[(2R)-3-(3-aminopropylsulfanyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 70085462
Sdccgsbi-0107791.P001
CID 28356623
2-Thiomorpholin-3-yl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 66421517
N-(2-methylpropyl)-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66421853

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 56721562) is 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one is CCSCC(C)NCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GWFYCVIFNPJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-18-11-13(3)15-8-5-14(17)16-9-6-12(2)7-10-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 272.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 56721562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).