N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide

C13H26N2OS — CID 56714335

IUPACN-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C13H26N2OS/c1-11(2)17-10-13(16)14-7-6-12-5-4-8-15(3)9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyGQORYJLATHQZQL-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide

N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 56714335) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
PubChem CID56714335
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C13H26N2OS/c1-11(2)17-10-13(16)14-7-6-12-5-4-8-15(3)9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyGQORYJLATHQZQL-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 95207648
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
(E)-4-[2-(1-methylpiperidin-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177299
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide
CID 95188582
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
CID 56714892
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159602
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
CID 95229686
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide (CID 56714335) is N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NCCC1CCCN(C)C1.
What is the InChIKey of N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is GQORYJLATHQZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11(2)17-10-13(16)14-7-6-12-5-4-8-15(3)9-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide?
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 258.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 56714335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).