2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide

C12H19N3O2S — CID 116653255

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide
SMILESCN(c1ccccc1S(N)(=O)=O)C(CN)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-15(11(8-13)9-6-7-9)10-4-2-3-5-12(10)18(14,16)17/h2-5,9,11H,6-8,13H2,1H3,(H2,14,16,17)
InChIKeyRINCVJPRKAIOBK-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.51
Rot. Bonds5

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide (PubChem CID 116653255) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide
PubChem CID116653255
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide
SMILESCN(c1ccccc1S(N)(=O)=O)C(CN)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-15(11(8-13)9-6-7-9)10-4-2-3-5-12(10)18(14,16)17/h2-5,9,11H,6-8,13H2,1H3,(H2,14,16,17)
InChIKeyRINCVJPRKAIOBK-UHFFFAOYSA-N
XLogP0.51
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide (CID 116653255) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide is CN(c1ccccc1S(N)(=O)=O)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide?
The InChIKey is RINCVJPRKAIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15(11(8-13)9-6-7-9)10-4-2-3-5-12(10)18(14,16)17/h2-5,9,11H,6-8,13H2,1H3,(H2,14,16,17).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]benzenesulfonamide is sourced from PubChem (CID 116653255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).