3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide

C17H26N2O3S — CID 120598164

IUPAC3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
SMILESCOc1ccc(SCCC(=O)NC2CCNC(C)C2)cc1OC
InChIInChI=1S/C17H26N2O3S/c1-12-10-13(6-8-18-12)19-17(20)7-9-23-14-4-5-15(21-2)16(11-14)22-3/h4-5,11-13,18H,6-10H2,1-3H3,(H,19,20)
InChIKeyBPGXNJCVAWHXQA-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.44
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide

3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120598164) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120598164
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
SMILESCOc1ccc(SCCC(=O)NC2CCNC(C)C2)cc1OC
InChIInChI=1S/C17H26N2O3S/c1-12-10-13(6-8-18-12)19-17(20)7-9-23-14-4-5-15(21-2)16(11-14)22-3/h4-5,11-13,18H,6-10H2,1-3H3,(H,19,20)
InChIKeyBPGXNJCVAWHXQA-UHFFFAOYSA-N
XLogP2.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601835
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide (CID 120598164) is 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide is COc1ccc(SCCC(=O)NC2CCNC(C)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is BPGXNJCVAWHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-10-13(6-8-18-12)19-17(20)7-9-23-14-4-5-15(21-2)16(11-14)22-3/h4-5,11-13,18H,6-10H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 338.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120598164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).