3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide

C18H21N3O3S — CID 130387637

IUPAC3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCC(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21N3O3S/c19-17(20)12-18(22)21-9-7-15(8-10-21)25(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11,15H,7-10,12H2,(H3,19,20)
InChIKeyHJKXCBQBMPYAOE-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.93
Rot. Bonds4

About 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide

3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide (PubChem CID 130387637) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide
PubChem CID130387637
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCC(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21N3O3S/c19-17(20)12-18(22)21-9-7-15(8-10-21)25(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11,15H,7-10,12H2,(H3,19,20)
InChIKeyHJKXCBQBMPYAOE-UHFFFAOYSA-N
XLogP1.93
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
2-amino-4-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-(naphthalen-2-ylsulfonylamino)butanamide;dihydrochloride
CID 67725419
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 90591858
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
CID 9151786
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
3-[[(2S)-1-[(2R)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methylsulfanylmethyl]piperidine-1-carboximidamide
CID 57174420

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide?
The IUPAC name of 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide (CID 130387637) is 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide?
The canonical SMILES for 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide is [H]/N=C(\N)CC(=O)N1CCC(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide?
The InChIKey is HJKXCBQBMPYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-17(20)12-18(22)21-9-7-15(8-10-21)25(23,24)16-6-5-13-3-1-2-4-14(13)11-16/h1-6,11,15H,7-10,12H2,(H3,19,20).
What are the key properties of 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide?
3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide has a molecular weight of 359.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylsulfonylpiperidin-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 130387637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).