1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide

C12H24N4O2S2 — CID 61121993

IUPAC1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide
SMILESCN1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1
InChIInChI=1S/C12H24N4O2S2/c1-15-9-5-12(6-10-15,11(13)19)14-20(17,18)16-7-3-2-4-8-16/h14H,2-10H2,1H3,(H2,13,19)
InChIKeyGRTQJFDYQIGABS-UHFFFAOYSA-N
MW320.48 g/mol
LogP0.06
Rot. Bonds4

About 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide

1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide (PubChem CID 61121993) has the molecular formula C12H24N4O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide
PubChem CID61121993
Molecular FormulaC12H24N4O2S2
Molecular Weight320.48 g/mol
Exact Mass320.13
IUPAC Name1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide
SMILESCN1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1
InChIInChI=1S/C12H24N4O2S2/c1-15-9-5-12(6-10-15,11(13)19)14-20(17,18)16-7-3-2-4-8-16/h14H,2-10H2,1H3,(H2,13,19)
InChIKeyGRTQJFDYQIGABS-UHFFFAOYSA-N
XLogP0.06
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.06
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
1-Methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carbothioamide
CID 24277136
4-(4-Ethylpiperazin-1-yl)-1-methylpiperidine-4-carbothioamide
CID 24277137
1-Ethyl-4-(4-methylpiperazin-1-yl)piperidine-4-carbothioamide
CID 24277145
1-Ethyl-4-(4-ethylpiperazin-1-yl)piperidine-4-carbothioamide
CID 24277146
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 28940558
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 28940560
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methylpiperidine-1-sulfonamide
CID 43119816
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-3-methylpiperidine-1-sulfonamide
CID 43119817
2-Methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61119053
4-(Diethylsulfamoylamino)-1-methylpiperidine-4-carbothioamide
CID 61121992
2-Methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
CID 61122682

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide?
The IUPAC name of 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide (CID 61121993) is 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide.
What is the SMILES notation for 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide?
The canonical SMILES for 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide is CN1CCC(NS(=O)(=O)N2CCCCC2)(C(N)=S)CC1.
What is the InChIKey of 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide?
The InChIKey is GRTQJFDYQIGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S2/c1-15-9-5-12(6-10-15,11(13)19)14-20(17,18)16-7-3-2-4-8-16/h14H,2-10H2,1H3,(H2,13,19).
What are the key properties of 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide?
1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide has a molecular weight of 320.48 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-1-ylsulfonylamino)piperidine-4-carbothioamide is sourced from PubChem (CID 61121993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).