[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine

C11H23NO3S — CID 106730398

IUPAC[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)16(13,14)7-5-11(8-12)4-6-15-10(11)3/h9-10H,4-8,12H2,1-3H3
InChIKeyPLPQQCJNHYSAFJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.95
Rot. Bonds5

About [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine

[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine (PubChem CID 106730398) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
PubChem CID106730398
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-9(2)16(13,14)7-5-11(8-12)4-6-15-10(11)3/h9-10H,4-8,12H2,1-3H3
InChIKeyPLPQQCJNHYSAFJ-UHFFFAOYSA-N
XLogP0.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Methanesulfonylmethyl)oxan-4-yl]methanamine
CID 71757365
[1,1-Dioxo-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-yl]methanamine
CID 78992041
N-methyl-1-[3-[2-(3-methylbutoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 55106544
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55106737
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-1-amine
CID 55106834
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106885
N-[[3-(2-ethoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55209602
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62718206
N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718349
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 62719014
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 62719015

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine (CID 106730398) is [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine is CC1OCCC1(CN)CCS(=O)(=O)C(C)C.
What is the InChIKey of [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine?
The InChIKey is PLPQQCJNHYSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)16(13,14)7-5-11(8-12)4-6-15-10(11)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine?
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine has a molecular weight of 249.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 106730398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).