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'}

Analyze N-[1-[2-amino-5-(diethylamino)phenyl]-1-(methanesulfonamido)ethyl]methanesulfonamide 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-[[2-amino-5-(diethylamino)phenyl]methyl]methanesulfonamide
CID 56991431
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
CID 23320322
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
tetrakis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid
CID 173415406
4-N,4-N-diethyl-2-N,2-N-dimethylbenzene-1,2,4-triamine;sulfuric acid;hydrate
CID 70407721
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;sulfate;hydrate
CID 22486762
N-[1-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;4-N,4-N-diethylbenzene-1,4-diamine;4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 70270902
1-N,1-N-diethyl-4-fluorobenzene-1,3-diamine
CID 39237480
sodium [2-amino-5-(diethylamino)phenyl]sulfanyl sulfate
CID 176656196
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507

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).