(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine

C14H27NO3S — CID 97102225

IUPAC(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC1(C)C[C@@H](NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1
InChIInChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyMMUNAMYKZLFTPU-LLVKDONJSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds5

About (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine

(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine (PubChem CID 97102225) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
PubChem CID97102225
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC1(C)C[C@@H](NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1
InChIInChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyMMUNAMYKZLFTPU-LLVKDONJSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine (CID 97102225) is (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The canonical SMILES for (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine is CC1(C)C[C@@H](NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1.
What is the InChIKey of (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The InChIKey is MMUNAMYKZLFTPU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine is sourced from PubChem (CID 97102225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).