N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide

C18H32N2O2S — CID 19873451

IUPACN-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCCCCCCC(CC)NCCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H32N2O2S/c1-4-6-7-8-12-17(5-2)19-15-14-16-11-9-10-13-18(16)20-23(3,21)22/h9-11,13,17,19-20H,4-8,12,14-15H2,1-3H3
InChIKeyUKMRJBNTIJJXEX-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.94
Rot. Bonds12

About N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide

N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 19873451) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide
PubChem CID19873451
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCCCCCCC(CC)NCCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H32N2O2S/c1-4-6-7-8-12-17(5-2)19-15-14-16-11-9-10-13-18(16)20-23(3,21)22/h9-11,13,17,19-20H,4-8,12,14-15H2,1-3H3
InChIKeyUKMRJBNTIJJXEX-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]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-[3-[4-(nonan-3-ylamino)but-1-enyl]phenyl]methanesulfonamide
CID 67798880
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
4-methylbenzenesulfonic acid;N-[4-[4-(nonan-3-ylamino)butyl]phenyl]methanesulfonamide
CID 88625405
1-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212854
N-[4-[1-hydroxy-1-iodo-2-(nonan-3-ylamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 70411510
N-tridecylpentadecan-3-amine
CID 88820168
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-undecan-3-ylaniline
CID 171755615
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
N-[2-(3-methylbutyl)phenyl]ethanesulfonamide
CID 59755785

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide (CID 19873451) is N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide is CCCCCCC(CC)NCCc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is UKMRJBNTIJJXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-4-6-7-8-12-17(5-2)19-15-14-16-11-9-10-13-18(16)20-23(3,21)22/h9-11,13,17,19-20H,4-8,12,14-15H2,1-3H3.
What are the key properties of N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide?
N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 340.53 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(nonan-3-ylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 19873451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).