3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine

C11H23NO3S — CID 64698291

IUPAC3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO3S/c1-2-15-11(7-12)9-16(13,14)8-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyCNEQETZDKVAXKJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.96
Rot. Bonds7

About 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine

3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine (PubChem CID 64698291) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine
PubChem CID64698291
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO3S/c1-2-15-11(7-12)9-16(13,14)8-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3
InChIKeyCNEQETZDKVAXKJ-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine (CID 64698291) is 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)(=O)CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine?
The InChIKey is CNEQETZDKVAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-15-11(7-12)9-16(13,14)8-10-5-3-4-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine?
3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfonyl)-2-ethoxypropan-1-amine is sourced from PubChem (CID 64698291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).