2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide

C16H30N2O3S — CID 163502449

IUPAC2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide
SMILESCCSC(C)C(=O)NC1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3S/c1-6-22-12(2)15(20)17-13-7-9-18(10-8-13)14(19)11-21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyCVXFJMADPQLKPL-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.05
Rot. Bonds6

About 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide

2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide (PubChem CID 163502449) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide
PubChem CID163502449
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide
SMILESCCSC(C)C(=O)NC1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3S/c1-6-22-12(2)15(20)17-13-7-9-18(10-8-13)14(19)11-21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyCVXFJMADPQLKPL-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide (CID 163502449) is 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide is CCSC(C)C(=O)NC1CCN(C(=O)COC(C)(C)C)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide?
The InChIKey is CVXFJMADPQLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-6-22-12(2)15(20)17-13-7-9-18(10-8-13)14(19)11-21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide?
2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide has a molecular weight of 330.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 163502449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).