N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide

C14H21N3O3S — CID 43276077

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
SMILESNCc1ccc(N(C2CC2)S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-11-12-1-3-13(4-2-12)17(14-5-6-14)21(18,19)16-7-9-20-10-8-16/h1-4,14H,5-11,15H2
InChIKeyHMXLZKREGVOEGL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.69
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide

N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide (PubChem CID 43276077) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
PubChem CID43276077
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
SMILESNCc1ccc(N(C2CC2)S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O3S/c15-11-12-1-3-13(4-2-12)17(14-5-6-14)21(18,19)16-7-9-20-10-8-16/h1-4,14H,5-11,15H2
InChIKeyHMXLZKREGVOEGL-UHFFFAOYSA-N
XLogP0.69
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide (CID 43276077) is N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide is NCc1ccc(N(C2CC2)S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide?
The InChIKey is HMXLZKREGVOEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-11-12-1-3-13(4-2-12)17(14-5-6-14)21(18,19)16-7-9-20-10-8-16/h1-4,14H,5-11,15H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide is sourced from PubChem (CID 43276077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).