2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide

C13H25N3O2S2 — CID 61122498

IUPAC2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N3O2S2/c14-13(19)12(11-7-3-1-4-8-11)15-20(17,18)16-9-5-2-6-10-16/h11-12,15H,1-10H2,(H2,14,19)
InChIKeySUKUPVPZPYQFIM-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.54
Rot. Bonds5

About 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide

2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide (PubChem CID 61122498) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide
PubChem CID61122498
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC Name2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25N3O2S2/c14-13(19)12(11-7-3-1-4-8-11)15-20(17,18)16-9-5-2-6-10-16/h11-12,15H,1-10H2,(H2,14,19)
InChIKeySUKUPVPZPYQFIM-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cyclohexyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
CID 58799814
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122272
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274
4-Ethyl-1-(piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122278
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
CID 61122304
2-Cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
CID 61122500
N-(2-amino-1-cyclohexylethyl)piperidine-1-sulfonamide
CID 61122576
N-(2-amino-1-cyclohexylethyl)-4-methylpiperidine-1-sulfonamide
CID 61122577
1-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122667
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122668
2-Cyclohexyl-2-(pyrrolidin-1-ylsulfonylamino)ethanethioamide
CID 61122697
2-(Azepan-1-ylsulfonylamino)-2-cyclohexylethanethioamide
CID 61122899

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide (CID 61122498) is 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide?
The InChIKey is SUKUPVPZPYQFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c14-13(19)12(11-7-3-1-4-8-11)15-20(17,18)16-9-5-2-6-10-16/h11-12,15H,1-10H2,(H2,14,19).
What are the key properties of 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide?
2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide has a molecular weight of 319.50 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61122498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).