1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide

C11H24N4O2S2 — CID 61453590

IUPAC1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C11H24N4O2S2/c1-9(2)15(4)19(16,17)13-11(10(12)18)5-7-14(3)8-6-11/h9,13H,5-8H2,1-4H3,(H2,12,18)
InChIKeyKZKJMNHIMUNKEO-UHFFFAOYSA-N
MW308.47 g/mol
LogP-0.09
Rot. Bonds5

About 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide

1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide (PubChem CID 61453590) has the molecular formula C11H24N4O2S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide
PubChem CID61453590
Molecular FormulaC11H24N4O2S2
Molecular Weight308.47 g/mol
Exact Mass308.13
IUPAC Name1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C11H24N4O2S2/c1-9(2)15(4)19(16,17)13-11(10(12)18)5-7-14(3)8-6-11/h9,13H,5-8H2,1-4H3,(H2,12,18)
InChIKeyKZKJMNHIMUNKEO-UHFFFAOYSA-N
XLogP-0.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide?
The IUPAC name of 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide (CID 61453590) is 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide.
What is the SMILES notation for 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide?
The canonical SMILES for 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide is CC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide?
The InChIKey is KZKJMNHIMUNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S2/c1-9(2)15(4)19(16,17)13-11(10(12)18)5-7-14(3)8-6-11/h9,13H,5-8H2,1-4H3,(H2,12,18).
What are the key properties of 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide?
1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide has a molecular weight of 308.47 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carbothioamide is sourced from PubChem (CID 61453590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).