N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide

C12H25N3OS — CID 114627957

IUPACN-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CN(C)C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H25N3OS/c1-10(8-15(2)3)14-12(16)9-17-11-4-6-13-7-5-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyOLQIABBATJTBSP-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.54
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide

N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627957) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627957
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CN(C)C)NC(=O)CSC1CCNCC1
InChIInChI=1S/C12H25N3OS/c1-10(8-15(2)3)14-12(16)9-17-11-4-6-13-7-5-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyOLQIABBATJTBSP-UHFFFAOYSA-N
XLogP0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
CID 114628059
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-yloxyacetamide
CID 82946008
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
methyl (2S)-3-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoate
CID 104940371
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627675
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
CID 114626748
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide (CID 114627957) is N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide is CC(CN(C)C)NC(=O)CSC1CCNCC1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is OLQIABBATJTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-10(8-15(2)3)14-12(16)9-17-11-4-6-13-7-5-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide?
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 259.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).