N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide

C14H26N4O4S2 — CID 88656162

IUPACN-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCCN(CC)c1ccc(N)c(C(C)(NS(C)(=O)=O)NS(C)(=O)=O)c1
InChIInChI=1S/C14H26N4O4S2/c1-6-18(7-2)11-8-9-13(15)12(10-11)14(3,16-23(4,19)20)17-24(5,21)22/h8-10,16-17H,6-7,15H2,1-5H3
InChIKeyOWZKIAXQRDZEHH-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.39
Rot. Bonds8

About N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide

N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide (PubChem CID 88656162) has the molecular formula C14H26N4O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide
PubChem CID88656162
Molecular FormulaC14H26N4O4S2
Molecular Weight378.52 g/mol
Exact Mass378.14
IUPAC NameN-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide
SMILESCCN(CC)c1ccc(N)c(C(C)(NS(C)(=O)=O)NS(C)(=O)=O)c1
InChIInChI=1S/C14H26N4O4S2/c1-6-18(7-2)11-8-9-13(15)12(10-11)14(3,16-23(4,19)20)17-24(5,21)22/h8-10,16-17H,6-7,15H2,1-5H3
InChIKeyOWZKIAXQRDZEHH-UHFFFAOYSA-N
XLogP0.39
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide?
The IUPAC name of N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide (CID 88656162) is N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide is CCN(CC)c1ccc(N)c(C(C)(NS(C)(=O)=O)NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide?
The InChIKey is OWZKIAXQRDZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4S2/c1-6-18(7-2)11-8-9-13(15)12(10-11)14(3,16-23(4,19)20)17-24(5,21)22/h8-10,16-17H,6-7,15H2,1-5H3.
What are the key properties of N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide?
N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide is sourced from PubChem (CID 88656162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).