3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine

C9H21NO3S — CID 106451726

IUPAC3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-7-13-8-6-10-5-4-9-14(2,11)12/h10H,3-9H2,1-2H3
InChIKeyMSIBIBPWLJDONQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.44
Rot. Bonds9

About 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine

3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine (PubChem CID 106451726) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
PubChem CID106451726
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCNCCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-3-7-13-8-6-10-5-4-9-14(2,11)12/h10H,3-9H2,1-2H3
InChIKeyMSIBIBPWLJDONQ-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methylsulfonyl-N-(2-propoxyethyl)propan-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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
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
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 178004452
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
N-[2-(2-chloroethoxy)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65097514
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine (CID 106451726) is 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine is CCCOCCNCCCS(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine?
The InChIKey is MSIBIBPWLJDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-7-13-8-6-10-5-4-9-14(2,11)12/h10H,3-9H2,1-2H3.
What are the key properties of 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine?
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine is sourced from PubChem (CID 106451726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).