N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide

C15H24N2OS — CID 47095623

IUPACN,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1ccccn1
InChIInChI=1S/C15H24N2OS/c1-12(2)9-17(10-13(3)4)15(18)11-19-14-7-5-6-8-16-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyCDXUFJMYRMIUKP-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.31
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide

N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 47095623) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID47095623
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1ccccn1
InChIInChI=1S/C15H24N2OS/c1-12(2)9-17(10-13(3)4)15(18)11-19-14-7-5-6-8-16-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyCDXUFJMYRMIUKP-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 47138557
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N,N-bis(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 44774984
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 43853387
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
N,N-bis(2-methylpropyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377579

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide (CID 47095623) is N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide is CC(C)CN(CC(C)C)C(=O)CSc1ccccn1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CDXUFJMYRMIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)9-17(10-13(3)4)15(18)11-19-14-7-5-6-8-16-14/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide?
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 280.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 47095623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).