2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide

C8H18N4O2S2 — CID 114808399

IUPAC2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
SMILESCNS(=O)(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C8H18N4O2S2/c1-10-16(13,14)11-7-2-4-12(5-3-7)6-8(9)15/h7,10-11H,2-6H2,1H3,(H2,9,15)
InChIKeyYNFHYUVNAKFADZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP-1.21
Rot. Bonds5

About 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide

2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide (PubChem CID 114808399) has the molecular formula C8H18N4O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
PubChem CID114808399
Molecular FormulaC8H18N4O2S2
Molecular Weight266.39 g/mol
Exact Mass266.09
IUPAC Name2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
SMILESCNS(=O)(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C8H18N4O2S2/c1-10-16(13,14)11-7-2-4-12(5-3-7)6-8(9)15/h7,10-11H,2-6H2,1H3,(H2,9,15)
InChIKeyYNFHYUVNAKFADZ-UHFFFAOYSA-N
XLogP-1.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 105361155
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]piperidin-1-yl]ethanethioamide
CID 63625246
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide
CID 139004941
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
CID 83084786
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
CID 55247689
2-[4-(2-methylpropylsulfamoyl)piperazin-1-yl]ethanethioamide
CID 114815280
1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine
CID 114807374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide (CID 114808399) is 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide is CNS(=O)(=O)NC1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The InChIKey is YNFHYUVNAKFADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S2/c1-10-16(13,14)11-7-2-4-12(5-3-7)6-8(9)15/h7,10-11H,2-6H2,1H3,(H2,9,15).
What are the key properties of 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide?
2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide has a molecular weight of 266.39 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide is sourced from PubChem (CID 114808399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).