2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide

C10H15N3O3S — CID 43374208

IUPAC2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H15N3O3S/c1-13(7-10(12)14)17(15,16)9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyVQVWDJCISTWFSO-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.75
Rot. Bonds5

About 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide

2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide (PubChem CID 43374208) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
PubChem CID43374208
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H15N3O3S/c1-13(7-10(12)14)17(15,16)9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,14)
InChIKeyVQVWDJCISTWFSO-UHFFFAOYSA-N
XLogP-0.75
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
CID 43440524
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43375348
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide (CID 43374208) is 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide is CN(CC(N)=O)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide?
The InChIKey is VQVWDJCISTWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(7-10(12)14)17(15,16)9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,14).
What are the key properties of 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide?
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 43374208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).