N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

C14H29NO3S — CID 55131029

IUPACN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C14H29NO3S/c1-5-19(16,17)11-8-14(6-9-18-10-7-14)12-15-13(2,3)4/h15H,5-12H2,1-4H3
InChIKeyCNBKYQHNECAEEA-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds6

About N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55131029) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID55131029
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C14H29NO3S/c1-5-19(16,17)11-8-14(6-9-18-10-7-14)12-15-13(2,3)4/h15H,5-12H2,1-4H3
InChIKeyCNBKYQHNECAEEA-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 55131029) is N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is CCS(=O)(=O)CCC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CNBKYQHNECAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-5-19(16,17)11-8-14(6-9-18-10-7-14)12-15-13(2,3)4/h15H,5-12H2,1-4H3.
What are the key properties of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55131029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).