N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide

C18H22N2O3S — CID 71974641

IUPACN-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22N2O3S/c1-2-18(21)19-15-9-6-12-20(13-15)24(22,23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,19,21)
InChIKeyOGWOAUHDMIGZME-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.52
Rot. Bonds4

About N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide

N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide (PubChem CID 71974641) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
PubChem CID71974641
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22N2O3S/c1-2-18(21)19-15-9-6-12-20(13-15)24(22,23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,19,21)
InChIKeyOGWOAUHDMIGZME-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
CID 14326760
ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
CID 55915043
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide?
The IUPAC name of N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide (CID 71974641) is N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide?
The canonical SMILES for N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide is CCC(=O)NC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide?
The InChIKey is OGWOAUHDMIGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-18(21)19-15-9-6-12-20(13-15)24(22,23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,19,21).
What are the key properties of N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide?
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide is sourced from PubChem (CID 71974641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).