N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine

C10H22N2O3S — CID 91807460

IUPACN-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine
SMILESCOCCNCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O3S/c1-15-9-6-11-5-4-10-16(13,14)12-7-2-3-8-12/h11H,2-10H2,1H3
InChIKeyRBPUDJVVBZYDST-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.04
Rot. Bonds8

About N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine

N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine (PubChem CID 91807460) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine
PubChem CID91807460
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine
SMILESCOCCNCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O3S/c1-15-9-6-11-5-4-10-16(13,14)12-7-2-3-8-12/h11H,2-10H2,1H3
InChIKeyRBPUDJVVBZYDST-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine (CID 91807460) is N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine is COCCNCCCS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The InChIKey is RBPUDJVVBZYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-9-6-11-5-4-10-16(13,14)12-7-2-3-8-12/h11H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine?
N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 91807460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).