3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide

C12H18N2O2S — CID 43265234

IUPAC3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H18N2O2S/c1-9(13)10-4-3-5-12(8-10)17(15,16)14(2)11-6-7-11/h3-5,8-9,11H,6-7,13H2,1-2H3
InChIKeyGARNBNPKDMTNGT-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.49
Rot. Bonds4

About 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide

3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 43265234) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID43265234
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H18N2O2S/c1-9(13)10-4-3-5-12(8-10)17(15,16)14(2)11-6-7-11/h3-5,8-9,11H,6-7,13H2,1-2H3
InChIKeyGARNBNPKDMTNGT-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide (CID 43265234) is 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide is CC(N)c1cccc(S(=O)(=O)N(C)C2CC2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is GARNBNPKDMTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(13)10-4-3-5-12(8-10)17(15,16)14(2)11-6-7-11/h3-5,8-9,11H,6-7,13H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide?
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43265234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).