2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide

C14H27N3O2S2 — CID 61122500

IUPAC2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
SMILESCC1CCN(S(=O)(=O)NC(C(N)=S)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2S2/c1-11-7-9-17(10-8-11)21(18,19)16-13(14(15)20)12-5-3-2-4-6-12/h11-13,16H,2-10H2,1H3,(H2,15,20)
InChIKeyHGNYFSNSZRQHBR-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.79
Rot. Bonds5

About 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide

2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide (PubChem CID 61122500) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
PubChem CID61122500
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
SMILESCC1CCN(S(=O)(=O)NC(C(N)=S)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2S2/c1-11-7-9-17(10-8-11)21(18,19)16-13(14(15)20)12-5-3-2-4-6-12/h11-13,16H,2-10H2,1H3,(H2,15,20)
InChIKeyHGNYFSNSZRQHBR-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.79
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

N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808182
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467
4-(methylamino)-N-propan-2-ylpiperidine-1-sulfonamide
CID 114803086
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
N-(1-cyclohexylethyl)piperazine-1-sulfonamide
CID 62407590
N-(1-chlorobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 65033436

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide (CID 61122500) is 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide is CC1CCN(S(=O)(=O)NC(C(N)=S)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide?
The InChIKey is HGNYFSNSZRQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-11-7-9-17(10-8-11)21(18,19)16-13(14(15)20)12-5-3-2-4-6-12/h11-13,16H,2-10H2,1H3,(H2,15,20).
What are the key properties of 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide?
2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide has a molecular weight of 333.52 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide is sourced from PubChem (CID 61122500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).