2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide

C17H26N2OS — CID 106625638

IUPAC2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-2-12-19(13-15-8-6-7-11-18-15)17(20)14-21-16-9-4-3-5-10-16/h3-5,9-10,15,18H,2,6-8,11-14H2,1H3
InChIKeyDDLUQPDFXUBVEE-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds7

About 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide

2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide (PubChem CID 106625638) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
PubChem CID106625638
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-2-12-19(13-15-8-6-7-11-18-15)17(20)14-21-16-9-4-3-5-10-16/h3-5,9-10,15,18H,2,6-8,11-14H2,1H3
InChIKeyDDLUQPDFXUBVEE-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612016
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625612
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide (CID 106625638) is 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide is CCCN(CC1CCCCN1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The InChIKey is DDLUQPDFXUBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-12-19(13-15-8-6-7-11-18-15)17(20)14-21-16-9-4-3-5-10-16/h3-5,9-10,15,18H,2,6-8,11-14H2,1H3.
What are the key properties of 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide?
2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide has a molecular weight of 306.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 106625638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).