2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide

C17H25N3O2S — CID 90652629

IUPAC2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
SMILESO=C(CSCC1CC1)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2S/c21-17(13-23-12-14-3-4-14)19-11-16(15-2-1-5-18-10-15)20-6-8-22-9-7-20/h1-2,5,10,14,16H,3-4,6-9,11-13H2,(H,19,21)
InChIKeyZJYWPYAPSUWTIJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.71
Rot. Bonds8

About 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide

2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide (PubChem CID 90652629) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
PubChem CID90652629
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
SMILESO=C(CSCC1CC1)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2S/c21-17(13-23-12-14-3-4-14)19-11-16(15-2-1-5-18-10-15)20-6-8-22-9-7-20/h1-2,5,10,14,16H,3-4,6-9,11-13H2,(H,19,21)
InChIKeyZJYWPYAPSUWTIJ-UHFFFAOYSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95227280
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide (CID 90652629) is 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide is O=C(CSCC1CC1)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The InChIKey is ZJYWPYAPSUWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-17(13-23-12-14-3-4-14)19-11-16(15-2-1-5-18-10-15)20-6-8-22-9-7-20/h1-2,5,10,14,16H,3-4,6-9,11-13H2,(H,19,21).
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 90652629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).