2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide

C11H22N2O3S2 — CID 55014070

IUPAC2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
SMILESCOCCS(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C11H22N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H2,12,17)
InChIKeyRISFGUKJJZACLW-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.79
Rot. Bonds7

About 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide

2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide (PubChem CID 55014070) has the molecular formula C11H22N2O3S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
PubChem CID55014070
Molecular FormulaC11H22N2O3S2
Molecular Weight294.44 g/mol
Exact Mass294.11
IUPAC Name2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
SMILESCOCCS(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C11H22N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H2,12,17)
InChIKeyRISFGUKJJZACLW-UHFFFAOYSA-N
XLogP0.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N'-hydroxy-2-(2-methylsulfonylethylsulfonylamino)ethanimidamide
CID 76988697
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808182
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
CID 77038259
2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
CID 61122500
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
(2-methoxyethylsulfonylamino)thiourea
CID 65214468
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide (CID 55014070) is 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide is COCCS(=O)(=O)NC(C(N)=S)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide?
The InChIKey is RISFGUKJJZACLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S2/c1-16-7-8-18(14,15)13-10(11(12)17)9-5-3-2-4-6-9/h9-10,13H,2-8H2,1H3,(H2,12,17).
What are the key properties of 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide?
2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide has a molecular weight of 294.44 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide is sourced from PubChem (CID 55014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).