2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide

C12H17N3O3S — CID 43568463

IUPAC2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H17N3O3S/c13-7-9-2-1-3-11(6-9)19(17,18)14-8-12(16)15-10-4-5-10/h1-3,6,10,14H,4-5,7-8,13H2,(H,15,16)
InChIKeyVJZFUKSOOVWWLG-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.30
Rot. Bonds6

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

2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide (PubChem CID 43568463) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
PubChem CID43568463
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
SMILESNCc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H17N3O3S/c13-7-9-2-1-3-11(6-9)19(17,18)14-8-12(16)15-10-4-5-10/h1-3,6,10,14H,4-5,7-8,13H2,(H,15,16)
InChIKeyVJZFUKSOOVWWLG-UHFFFAOYSA-N
XLogP-0.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-N-phenylbenzamide
CID 72906058
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
2-[(4-carbamothioylphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 43568529
2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
2-[(2-aminopyrimidin-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 62147002
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide (CID 43568463) is 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide is NCc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is VJZFUKSOOVWWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-7-9-2-1-3-11(6-9)19(17,18)14-8-12(16)15-10-4-5-10/h1-3,6,10,14H,4-5,7-8,13H2,(H,15,16).
What are the key properties of 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide?
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 283.35 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).