N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

C14H21N3OS — CID 120573924

IUPACN-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC1NCCCC1NC(=O)CSCc1ccccn1
InChIInChI=1S/C14H21N3OS/c1-11-13(6-4-8-15-11)17-14(18)10-19-9-12-5-2-3-7-16-12/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyTVXKRRABJONJLB-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.57
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 120573924) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID120573924
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC1NCCCC1NC(=O)CSCc1ccccn1
InChIInChI=1S/C14H21N3OS/c1-11-13(6-4-8-15-11)17-14(18)10-19-9-12-5-2-3-7-16-12/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3,(H,17,18)
InChIKeyTVXKRRABJONJLB-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120574731
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
N-(2-methylpiperidin-4-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 120602148
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
1-(2,3-dimethylpiperazin-1-yl)-3-(pyridin-2-ylmethylsulfanyl)propan-1-one
CID 120571362
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120577158
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 120573924) is N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is CC1NCCCC1NC(=O)CSCc1ccccn1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is TVXKRRABJONJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-13(6-4-8-15-11)17-14(18)10-19-9-12-5-2-3-7-16-12/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 279.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 120573924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).