N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

C14H26N2O2S — CID 120599932

IUPACN-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCC1CC(NC(=O)CSCC2CCCCO2)CCN1
InChIInChI=1S/C14H26N2O2S/c1-11-8-12(5-6-15-11)16-14(17)10-19-9-13-4-2-3-7-18-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyNCYBFFNDKFFPBT-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.55
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 120599932) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID120599932
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCC1CC(NC(=O)CSCC2CCCCO2)CCN1
InChIInChI=1S/C14H26N2O2S/c1-11-8-12(5-6-15-11)16-14(17)10-19-9-13-4-2-3-7-18-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyNCYBFFNDKFFPBT-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601826
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 120599932) is N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is CC1CC(NC(=O)CSCC2CCCCO2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is NCYBFFNDKFFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11-8-12(5-6-15-11)16-14(17)10-19-9-13-4-2-3-7-18-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 286.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 120599932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).