4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide

C11H24N4O2S2 — CID 61121992

IUPAC4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C11H24N4O2S2/c1-4-15(5-2)19(16,17)13-11(10(12)18)6-8-14(3)9-7-11/h13H,4-9H2,1-3H3,(H2,12,18)
InChIKeyULLYRTFTIWCWQQ-UHFFFAOYSA-N
MW308.47 g/mol
LogP-0.09
Rot. Bonds6

About 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide

4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide (PubChem CID 61121992) has the molecular formula C11H24N4O2S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
PubChem CID61121992
Molecular FormulaC11H24N4O2S2
Molecular Weight308.47 g/mol
Exact Mass308.13
IUPAC Name4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1
InChIInChI=1S/C11H24N4O2S2/c1-4-15(5-2)19(16,17)13-11(10(12)18)6-8-14(3)9-7-11/h13H,4-9H2,1-3H3,(H2,12,18)
InChIKeyULLYRTFTIWCWQQ-UHFFFAOYSA-N
XLogP-0.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

1-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)piperidine-4-carbothioamide
CID 114808187
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
4-(Aminomethyl)-4-(dimethylsulfamoylamino)-1-methylpiperidine
CID 28940544
4-(Aminomethyl)-4-(diethylsulfamoylamino)-1-methylpiperidine
CID 28940564
4-(Aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
4-(Aminomethyl)-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
CID 54947719
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
2-Methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991774
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54992494
3-[Cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54997286
3-[(4-Methylpiperidin-1-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 54998047

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The IUPAC name of 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide (CID 61121992) is 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The canonical SMILES for 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide is CCN(CC)S(=O)(=O)NC1(C(N)=S)CCN(C)CC1.
What is the InChIKey of 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
The InChIKey is ULLYRTFTIWCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S2/c1-4-15(5-2)19(16,17)13-11(10(12)18)6-8-14(3)9-7-11/h13H,4-9H2,1-3H3,(H2,12,18).
What are the key properties of 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide?
4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide has a molecular weight of 308.47 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 61121992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).