N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide

C14H22N2O4S — CID 116652179

IUPACN-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C14H22N2O4S/c1-16(12(9-15)10-4-5-10)21(17,18)14-8-11(19-2)6-7-13(14)20-3/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyXDZWEJZGZTZOAT-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 116652179) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID116652179
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C14H22N2O4S/c1-16(12(9-15)10-4-5-10)21(17,18)14-8-11(19-2)6-7-13(14)20-3/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyXDZWEJZGZTZOAT-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide (CID 116652179) is N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)C(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is XDZWEJZGZTZOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(12(9-15)10-4-5-10)21(17,18)14-8-11(19-2)6-7-13(14)20-3/h6-8,10,12H,4-5,9,15H2,1-3H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 116652179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).