2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid

C18H32N2O5S — CID 120660428

IUPAC2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)O
InChIInChI=1S/C18H32N2O5S/c1-13(2)10-15(18(22)23)11-19-26(24,25)16-8-5-9-20(12-16)17(21)14-6-3-4-7-14/h13-16,19H,3-12H2,1-2H3,(H,22,23)
InChIKeyUCLJZHROCGCKLE-UHFFFAOYSA-N
MW388.53 g/mol
LogP1.83
Rot. Bonds8

About 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid

2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid (PubChem CID 120660428) has the molecular formula C18H32N2O5S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
PubChem CID120660428
Molecular FormulaC18H32N2O5S
Molecular Weight388.53 g/mol
Exact Mass388.20
IUPAC Name2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)O
InChIInChI=1S/C18H32N2O5S/c1-13(2)10-15(18(22)23)11-19-26(24,25)16-8-5-9-20(12-16)17(21)14-6-3-4-7-14/h13-16,19H,3-12H2,1-2H3,(H,22,23)
InChIKeyUCLJZHROCGCKLE-UHFFFAOYSA-N
XLogP1.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-sulfonamide;hydrochloride
CID 120875867
(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
CID 97348596
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
(3R)-1-(cyclopentanecarbonyl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-sulfonamide
CID 97348626
(3R)-1-(cyclopentanecarbonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3-sulfonamide
CID 97348282
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348660
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120876158
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid (CID 120660428) is 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)O.
What is the InChIKey of 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid?
The InChIKey is UCLJZHROCGCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5S/c1-13(2)10-15(18(22)23)11-19-26(24,25)16-8-5-9-20(12-16)17(21)14-6-3-4-7-14/h13-16,19H,3-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid?
2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid has a molecular weight of 388.53 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120660428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).