N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide

C15H24N2O3S — CID 62050109

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)17(14-5-3-13(11-16)4-6-14)21(18,19)15-7-9-20-10-8-15/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyNHGIWNRBURPQIY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.87
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide

N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 62050109) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID62050109
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)17(14-5-3-13(11-16)4-6-14)21(18,19)15-7-9-20-10-8-15/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyNHGIWNRBURPQIY-UHFFFAOYSA-N
XLogP1.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 43276074
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797625
N-[4-(aminomethyl)phenyl]-N-cyclopropylmorpholine-4-sulfonamide
CID 43276077
N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 43276085
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
CID 62047698
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608
1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
CID 63713652
4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
CID 43591835

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide (CID 62050109) is N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is NHGIWNRBURPQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)17(14-5-3-13(11-16)4-6-14)21(18,19)15-7-9-20-10-8-15/h3-6,12,15H,7-11,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.87, 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-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 62050109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).