N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H22N2O3S2 — CID 110285845

IUPACN-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S2/c18-15(16-12-6-2-1-3-7-12)13-8-4-10-17(13)22(19,20)14-9-5-11-21-14/h5,9,11-13H,1-4,6-8,10H2,(H,16,18)
InChIKeyQJEZBGAKQFWEEE-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.35
Rot. Bonds4

About N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110285845) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID110285845
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S2/c18-15(16-12-6-2-1-3-7-12)13-8-4-10-17(13)22(19,20)14-9-5-11-21-14/h5,9,11-13H,1-4,6-8,10H2,(H,16,18)
InChIKeyQJEZBGAKQFWEEE-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 110285845) is N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QJEZBGAKQFWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-15(16-12-6-2-1-3-7-12)13-8-4-10-17(13)22(19,20)14-9-5-11-21-14/h5,9,11-13H,1-4,6-8,10H2,(H,16,18).
What are the key properties of N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110285845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).