1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone

C17H19ClN2OS — CID 119377684

IUPAC1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone
SMILESNC1CCCN(C(=O)CSc2cccc3cccc(Cl)c23)C1
InChIInChI=1S/C17H19ClN2OS/c18-14-7-1-4-12-5-2-8-15(17(12)14)22-11-16(21)20-9-3-6-13(19)10-20/h1-2,4-5,7-8,13H,3,6,9-11,19H2
InChIKeyKJZPXGZMQVNHLP-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone

1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone (PubChem CID 119377684) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone
PubChem CID119377684
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone
SMILESNC1CCCN(C(=O)CSc2cccc3cccc(Cl)c23)C1
InChIInChI=1S/C17H19ClN2OS/c18-14-7-1-4-12-5-2-8-15(17(12)14)22-11-16(21)20-9-3-6-13(19)10-20/h1-2,4-5,7-8,13H,3,6,9-11,19H2
InChIKeyKJZPXGZMQVNHLP-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561971
2-(8-chloronaphthalen-1-yl)sulfanyl-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86877651
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 119378981
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone;hydrochloride
CID 119378980
1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 119379820
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
CID 33308748
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
1-(azepan-1-yl)-2-(2,6-dichlorophenyl)sulfanylethanone
CID 112778036
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone (CID 119377684) is 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone is NC1CCCN(C(=O)CSc2cccc3cccc(Cl)c23)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone?
The InChIKey is KJZPXGZMQVNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-14-7-1-4-12-5-2-8-15(17(12)14)22-11-16(21)20-9-3-6-13(19)10-20/h1-2,4-5,7-8,13H,3,6,9-11,19H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone?
1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone has a molecular weight of 334.87 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone is sourced from PubChem (CID 119377684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).