2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide

C12H23N3O2S2 — CID 105361155

IUPAC2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(NS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O2S2/c13-12(18)9-15-7-5-10(6-8-15)14-19(16,17)11-3-1-2-4-11/h10-11,14H,1-9H2,(H2,13,18)
InChIKeyRMDPSPDVWPDSSX-UHFFFAOYSA-N
MW305.47 g/mol
LogP0.60
Rot. Bonds5

About 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide

2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide (PubChem CID 105361155) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
PubChem CID105361155
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(NS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O2S2/c13-12(18)9-15-7-5-10(6-8-15)14-19(16,17)11-3-1-2-4-11/h10-11,14H,1-9H2,(H2,13,18)
InChIKeyRMDPSPDVWPDSSX-UHFFFAOYSA-N
XLogP0.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide 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

2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
CID 114808399
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
2-[3-(cyclopropylsulfonylamino)piperidin-1-yl]acetamide
CID 155942451
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
CID 115277356
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1,1-dioxothiane-2-carboxamide
CID 104519421
N-cyclopentyl-1-(2-methylprop-2-enyl)piperidine-3-sulfonamide
CID 122138742
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
3-(cyclohexylsulfonylamino)propanethioamide
CID 62667102
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
CID 83084786
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide (CID 105361155) is 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide is NC(=S)CN1CCC(NS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide?
The InChIKey is RMDPSPDVWPDSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c13-12(18)9-15-7-5-10(6-8-15)14-19(16,17)11-3-1-2-4-11/h10-11,14H,1-9H2,(H2,13,18).
What are the key properties of 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide?
2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide has a molecular weight of 305.47 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide is sourced from PubChem (CID 105361155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).