2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine

C15H27NO3S — CID 166255612

IUPAC2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine
SMILESO=S(=O)(CCNC(C1CCOCC1)C1CC1)CC1CC1
InChIInChI=1S/C15H27NO3S/c17-20(18,11-12-1-2-12)10-7-16-15(13-3-4-13)14-5-8-19-9-6-14/h12-16H,1-11H2
InChIKeyXBSROEIFFGNBNE-UHFFFAOYSA-N
MW301.45 g/mol
LogP1.61
Rot. Bonds8

About 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine

2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine (PubChem CID 166255612) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine
PubChem CID166255612
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine
SMILESO=S(=O)(CCNC(C1CCOCC1)C1CC1)CC1CC1
InChIInChI=1S/C15H27NO3S/c17-20(18,11-12-1-2-12)10-7-16-15(13-3-4-13)14-5-8-19-9-6-14/h12-16H,1-11H2
InChIKeyXBSROEIFFGNBNE-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine (CID 166255612) is 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine is O=S(=O)(CCNC(C1CCOCC1)C1CC1)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine?
The InChIKey is XBSROEIFFGNBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c17-20(18,11-12-1-2-12)10-7-16-15(13-3-4-13)14-5-8-19-9-6-14/h12-16H,1-11H2.
What are the key properties of 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine?
2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine has a molecular weight of 301.45 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonyl)-N-[cyclopropyl(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 166255612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).