4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide

C10H21N3O3S2 — CID 55014117

IUPAC4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide
SMILESCOCCS(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C10H21N3O3S2/c1-13-5-3-10(4-6-13,9(11)17)12-18(14,15)8-7-16-2/h12H,3-8H2,1-2H3,(H2,11,17)
InChIKeyKWAZLZCTPVZPMK-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.70
Rot. Bonds6

About 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide

4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide (PubChem CID 55014117) has the molecular formula C10H21N3O3S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide
PubChem CID55014117
Molecular FormulaC10H21N3O3S2
Molecular Weight295.43 g/mol
Exact Mass295.10
IUPAC Name4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide
SMILESCOCCS(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C10H21N3O3S2/c1-13-5-3-10(4-6-13,9(11)17)12-18(14,15)8-7-16-2/h12H,3-8H2,1-2H3,(H2,11,17)
InChIKeyKWAZLZCTPVZPMK-UHFFFAOYSA-N
XLogP-0.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide?
The IUPAC name of 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide (CID 55014117) is 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide?
The canonical SMILES for 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide is COCCS(=O)(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide?
The InChIKey is KWAZLZCTPVZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S2/c1-13-5-3-10(4-6-13,9(11)17)12-18(14,15)8-7-16-2/h12H,3-8H2,1-2H3,(H2,11,17).
What are the key properties of 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide?
4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide has a molecular weight of 295.43 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 55014117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).