N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine

C14H31NO5S — CID 104561861

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
SMILESCCCCOCCOCCOCCNCCCS(C)(=O)=O
InChIInChI=1S/C14H31NO5S/c1-3-4-8-18-10-12-20-13-11-19-9-7-15-6-5-14-21(2,16)17/h15H,3-14H2,1-2H3
InChIKeyFZFMQTBKOVRYSX-UHFFFAOYSA-N
MW325.47 g/mol
LogP0.86
Rot. Bonds16

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine (PubChem CID 104561861) has the molecular formula C14H31NO5S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
PubChem CID104561861
Molecular FormulaC14H31NO5S
Molecular Weight325.47 g/mol
Exact Mass325.19
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
SMILESCCCCOCCOCCOCCNCCCS(C)(=O)=O
InChIInChI=1S/C14H31NO5S/c1-3-4-8-18-10-12-20-13-11-19-9-7-15-6-5-14-21(2,16)17/h15H,3-14H2,1-2H3
InChIKeyFZFMQTBKOVRYSX-UHFFFAOYSA-N
XLogP0.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine 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

3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 178004452
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
1-(3-butoxypropyl)-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111239895
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
1-(3-butoxypropyl)-2-methyl-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111239894

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine (CID 104561861) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine is CCCCOCCOCCOCCNCCCS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is FZFMQTBKOVRYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5S/c1-3-4-8-18-10-12-20-13-11-19-9-7-15-6-5-14-21(2,16)17/h15H,3-14H2,1-2H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 325.47 g/mol, XLogP of 0.86, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).