N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide

C16H31N3OS — CID 114627251

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(C)C(CNC(=O)CSC1CCNCC1)N1CCCC1
InChIInChI=1S/C16H31N3OS/c1-13(2)15(19-9-3-4-10-19)11-18-16(20)12-21-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyPJRSXYTYYLINCZ-UHFFFAOYSA-N
MW313.51 g/mol
LogP1.71
Rot. Bonds7

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627251) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627251
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(C)C(CNC(=O)CSC1CCNCC1)N1CCCC1
InChIInChI=1S/C16H31N3OS/c1-13(2)15(19-9-3-4-10-19)11-18-16(20)12-21-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyPJRSXYTYYLINCZ-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627251) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide is CC(C)C(CNC(=O)CSC1CCNCC1)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is PJRSXYTYYLINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-13(2)15(19-9-3-4-10-19)11-18-16(20)12-21-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 313.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).