1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide

C10H19N3O3S — CID 168716381

IUPAC1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNC1CCCCC1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H19N3O3S/c11-8-3-1-2-4-9(8)13-6-7(5-10(13)14)17(12,15)16/h7-9H,1-6,11H2,(H2,12,15,16)
InChIKeySKLLFBRCDKXMBY-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.85
Rot. Bonds2

About 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716381) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716381
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNC1CCCCC1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H19N3O3S/c11-8-3-1-2-4-9(8)13-6-7(5-10(13)14)17(12,15)16/h7-9H,1-6,11H2,(H2,12,15,16)
InChIKeySKLLFBRCDKXMBY-UHFFFAOYSA-N
XLogP-0.85
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716390
1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713059
1-[(1S,2S)-2-aminocyclohexyl]-4-chloropyrrolidin-2-one
CID 168686792
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716348
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
CID 168683470
tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
CID 168716353
S-[1-(2-aminocyclohexyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704218
5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
CID 168716641
1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719322

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716381) is 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide is NC1CCCCC1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is SKLLFBRCDKXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c11-8-3-1-2-4-9(8)13-6-7(5-10(13)14)17(12,15)16/h7-9H,1-6,11H2,(H2,12,15,16).
What are the key properties of 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).