2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide

C11H16N4O3S — CID 114613175

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H16N4O3S/c12-5-9-3-4-10(6-13-9)19(17,18)14-7-11(16)15-8-1-2-8/h3-4,6,8,14H,1-2,5,7,12H2,(H,15,16)
InChIKeyUEGDYBKDIAHMCI-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.90
Rot. Bonds6

About 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide

2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide (PubChem CID 114613175) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
PubChem CID114613175
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H16N4O3S/c12-5-9-3-4-10(6-13-9)19(17,18)14-7-11(16)15-8-1-2-8/h3-4,6,8,14H,1-2,5,7,12H2,(H,15,16)
InChIKeyUEGDYBKDIAHMCI-UHFFFAOYSA-N
XLogP-0.90
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
2-[(2-aminopyrimidin-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 62147002
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide (CID 114613175) is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide is NCc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cn1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is UEGDYBKDIAHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-5-9-3-4-10(6-13-9)19(17,18)14-7-11(16)15-8-1-2-8/h3-4,6,8,14H,1-2,5,7,12H2,(H,15,16).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 284.34 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 114613175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).