N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C12H19N3OS — CID 120827351

IUPACN-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCNC(C)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C12H19N3OS/c1-10(13-2)7-15-12(16)9-17-8-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyMSIBKAYVRZKCKR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 120827351) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID120827351
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCNC(C)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C12H19N3OS/c1-10(13-2)7-15-12(16)9-17-8-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyMSIBKAYVRZKCKR-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[2-(methylamino)propyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide;dihydrochloride
CID 120831636
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
CID 51085850
N-[2-(methylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120827427
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 120827351) is N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is CNC(C)CNC(=O)CSCc1ccccn1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is MSIBKAYVRZKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(13-2)7-15-12(16)9-17-8-11-5-3-4-6-14-11/h3-6,10,13H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 120827351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).