2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine

C13H27NO4S — CID 106513585

IUPAC2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
SMILESCCCCOCCNCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO4S/c1-2-3-8-17-10-6-14-7-11-19(15,16)12-13-5-4-9-18-13/h13-14H,2-12H2,1H3
InChIKeyBNDWBPOPSGJSOR-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.99
Rot. Bonds11

About 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine

2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine (PubChem CID 106513585) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
PubChem CID106513585
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine
SMILESCCCCOCCNCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H27NO4S/c1-2-3-8-17-10-6-14-7-11-19(15,16)12-13-5-4-9-18-13/h13-14H,2-12H2,1H3
InChIKeyBNDWBPOPSGJSOR-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
N-(2-methoxyethyl)-4-(oxolan-2-ylmethylsulfonyl)butan-1-amine
CID 106513565
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106513646
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
4-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513579
3-butoxy-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 113481095

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine (CID 106513585) is 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine is CCCCOCCNCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine?
The InChIKey is BNDWBPOPSGJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-2-3-8-17-10-6-14-7-11-19(15,16)12-13-5-4-9-18-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine?
2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 0.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]ethanamine is sourced from PubChem (CID 106513585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).