2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide

C14H21N3OS — CID 47354331

IUPAC2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
SMILESCSC(C)C(=O)Nc1cccnc1N1CCCCC1
InChIInChI=1S/C14H21N3OS/c1-11(19-2)14(18)16-12-7-6-8-15-13(12)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyRVYJXKNJQDGNMC-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.76
Rot. Bonds4

About 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide

2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide (PubChem CID 47354331) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
PubChem CID47354331
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
SMILESCSC(C)C(=O)Nc1cccnc1N1CCCCC1
InChIInChI=1S/C14H21N3OS/c1-11(19-2)14(18)16-12-7-6-8-15-13(12)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyRVYJXKNJQDGNMC-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94798718
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
4-amino-2-methyl-N-(2-piperidin-1-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 167907212
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide (CID 47354331) is 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide is CSC(C)C(=O)Nc1cccnc1N1CCCCC1.
What is the InChIKey of 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is RVYJXKNJQDGNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11(19-2)14(18)16-12-7-6-8-15-13(12)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 279.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 47354331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).