2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide

C13H19N3O3S — CID 106919161

IUPAC2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1CN
InChIInChI=1S/C13H19N3O3S/c1-9-6-12(5-2-10(9)7-14)20(18,19)15-8-13(17)16-11-3-4-11/h2,5-6,11,15H,3-4,7-8,14H2,1H3,(H,16,17)
InChIKeyGQAPDAXJCHGDBT-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.01
Rot. Bonds6

About 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide

2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide (PubChem CID 106919161) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
PubChem CID106919161
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1CN
InChIInChI=1S/C13H19N3O3S/c1-9-6-12(5-2-10(9)7-14)20(18,19)15-8-13(17)16-11-3-4-11/h2,5-6,11,15H,3-4,7-8,14H2,1H3,(H,16,17)
InChIKeyGQAPDAXJCHGDBT-UHFFFAOYSA-N
XLogP0.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
CID 106919128
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
3-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide (CID 106919161) is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide is Cc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is GQAPDAXJCHGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-6-12(5-2-10(9)7-14)20(18,19)15-8-13(17)16-11-3-4-11/h2,5-6,11,15H,3-4,7-8,14H2,1H3,(H,16,17).
What are the key properties of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide?
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 297.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 106919161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).