1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

C18H26N2O3S — CID 51240613

IUPAC1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H26N2O3S/c1-2-13-24(22,23)20-12-6-11-17(20)18(21)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-17H,2,5-6,8,10-13H2,1H3,(H,19,21)
InChIKeyOXNWAKCIDSKHKD-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.38
Rot. Bonds5

About 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide (PubChem CID 51240613) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
PubChem CID51240613
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H26N2O3S/c1-2-13-24(22,23)20-12-6-11-17(20)18(21)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-17H,2,5-6,8,10-13H2,1H3,(H,19,21)
InChIKeyOXNWAKCIDSKHKD-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 41139395
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 124726712
N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 49389470
(2S)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2576189
tert-butyl (2R)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 8927006
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 156857207
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47765775
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide (CID 51240613) is 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is OXNWAKCIDSKHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-13-24(22,23)20-12-6-11-17(20)18(21)19-16-10-5-8-14-7-3-4-9-15(14)16/h3-4,7,9,16-17H,2,5-6,8,10-13H2,1H3,(H,19,21).
What are the key properties of 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51240613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).