1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide

C19H29N3O5S2 — CID 42946902

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O5S2/c1-2-12-20-19(23)18-7-6-15-22(18)29(26,27)17-10-8-16(9-11-17)28(24,25)21-13-4-3-5-14-21/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyMSEKKYULZYXAKB-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.54
Rot. Bonds7

About 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide

1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 42946902) has the molecular formula C19H29N3O5S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
PubChem CID42946902
Molecular FormulaC19H29N3O5S2
Molecular Weight443.59 g/mol
Exact Mass443.15
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O5S2/c1-2-12-20-19(23)18-7-6-15-22(18)29(26,27)17-10-8-16(9-11-17)28(24,25)21-13-4-3-5-14-21/h8-11,18H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyMSEKKYULZYXAKB-UHFFFAOYSA-N
XLogP1.54
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-nitrophenyl)sulfonyl-N-propylpiperidine-2-carboxamide
CID 42949047
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
1-(benzenesulfonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119509273
(2S)-N-[2-[ethyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592948
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119502993

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide (CID 42946902) is 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is MSEKKYULZYXAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S2/c1-2-12-20-19(23)18-7-6-15-22(18)29(26,27)17-10-8-16(9-11-17)28(24,25)21-13-4-3-5-14-21/h8-11,18H,2-7,12-15H2,1H3,(H,20,23).
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide?
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42946902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).