ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide

C14H36N2O3S — CID 171638320

IUPACethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide
SMILESCC.CC.CCN(C)CCCOCCCNS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S.2C2H6/c1-4-12(2)8-6-10-15-9-5-7-11-16(3,13)14;2*1-2/h11H,4-10H2,1-3H3;2*1-2H3
InChIKeyNENKENBSOURVLT-UHFFFAOYSA-N
MW312.52 g/mol
LogP2.34
Rot. Bonds10

About ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide

ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide (PubChem CID 171638320) has the molecular formula C14H36N2O3S and a molecular weight of 312.52 g/mol. Its IUPAC name is ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide
PubChem CID171638320
Molecular FormulaC14H36N2O3S
Molecular Weight312.52 g/mol
Exact Mass312.24
IUPAC Nameethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide
SMILESCC.CC.CCN(C)CCCOCCCNS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S.2C2H6/c1-4-12(2)8-6-10-15-9-5-7-11-16(3,13)14;2*1-2/h11H,4-10H2,1-3H3;2*1-2H3
InChIKeyNENKENBSOURVLT-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]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-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-[2-(2-ethoxyethoxy)ethyl]methanesulfonamide
CID 176560121
N-ethyl-N,N'-dimethyl-N'-[3-(2-methylpropoxy)propyl]ethane-1,2-diamine
CID 166168806
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
1-[3-(methanesulfonamido)propyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406998
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252
N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 122677934
N-[2-[4-cyanobutyl(methyl)amino]ethyl]methanesulfonamide
CID 56789878

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide?
The IUPAC name of ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide (CID 171638320) is ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide.
What is the SMILES notation for ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide?
The canonical SMILES for ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide is CC.CC.CCN(C)CCCOCCCNS(C)(=O)=O.
What is the InChIKey of ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide?
The InChIKey is NENKENBSOURVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S.2C2H6/c1-4-12(2)8-6-10-15-9-5-7-11-16(3,13)14;2*1-2/h11H,4-10H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide?
ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide has a molecular weight of 312.52 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[3-[ethyl(methyl)amino]propoxy]propyl]methanesulfonamide is sourced from PubChem (CID 171638320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).