4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride

C12H19FN4O5S3 — CID 166414330

IUPAC4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(S(=O)(=O)F)CC2)s1
InChIInChI=1S/C12H19FN4O5S3/c1-14-24(19,20)11-3-2-10(23-11)8-15-12(18)16-9-4-6-17(7-5-9)25(13,21)22/h2-3,9,14H,4-8H2,1H3,(H2,15,16,18)
InChIKeyCFRIOVAQGTZMRH-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.13
Rot. Bonds6

About 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride

4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride (PubChem CID 166414330) has the molecular formula C12H19FN4O5S3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride
PubChem CID166414330
Molecular FormulaC12H19FN4O5S3
Molecular Weight414.51 g/mol
Exact Mass414.05
IUPAC Name4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(S(=O)(=O)F)CC2)s1
InChIInChI=1S/C12H19FN4O5S3/c1-14-24(19,20)11-3-2-10(23-11)8-15-12(18)16-9-4-6-17(7-5-9)25(13,21)22/h2-3,9,14H,4-8H2,1H3,(H2,15,16,18)
InChIKeyCFRIOVAQGTZMRH-UHFFFAOYSA-N
XLogP0.13
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669
1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
CID 47120984
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119698683
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698670
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
1-(1-methylsulfonylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)urea
CID 110706203
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride (CID 166414330) is 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride is CNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(S(=O)(=O)F)CC2)s1.
What is the InChIKey of 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride?
The InChIKey is CFRIOVAQGTZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O5S3/c1-14-24(19,20)11-3-2-10(23-11)8-15-12(18)16-9-4-6-17(7-5-9)25(13,21)22/h2-3,9,14H,4-8H2,1H3,(H2,15,16,18).
What are the key properties of 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride?
4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride has a molecular weight of 414.51 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methylsulfamoyl)thiophen-2-yl]methylcarbamoylamino]piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 166414330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).