N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide

C12H19N3OS — CID 114231922

IUPACN-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
SMILESCCCNc1ncccc1CSCC(=O)NC
InChIInChI=1S/C12H19N3OS/c1-3-6-14-12-10(5-4-7-15-12)8-17-9-11(16)13-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQXDYRGBWYMFXAT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds7

About N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide

N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide (PubChem CID 114231922) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
PubChem CID114231922
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
SMILESCCCNc1ncccc1CSCC(=O)NC
InChIInChI=1S/C12H19N3OS/c1-3-6-14-12-10(5-4-7-15-12)8-17-9-11(16)13-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQXDYRGBWYMFXAT-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671550
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384
2-[[2-oxo-2-(propylamino)ethyl]sulfanylmethyl]benzoic acid
CID 82178538

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide?
The IUPAC name of N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide (CID 114231922) is N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide is CCCNc1ncccc1CSCC(=O)NC.
What is the InChIKey of N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide?
The InChIKey is QXDYRGBWYMFXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-6-14-12-10(5-4-7-15-12)8-17-9-11(16)13-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide?
N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide is sourced from PubChem (CID 114231922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).