N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine

C14H21NO3S — CID 106513586

IUPACN-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21NO3S/c1-15-10-14(12-6-3-2-4-7-12)19(16,17)11-13-8-5-9-18-13/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyLVWBMAGFSLAZRL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.54
Rot. Bonds6

About N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine

N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine (PubChem CID 106513586) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
PubChem CID106513586
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21NO3S/c1-15-10-14(12-6-3-2-4-7-12)19(16,17)11-13-8-5-9-18-13/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyLVWBMAGFSLAZRL-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine
CID 106497444
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine (CID 106513586) is N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine is CNCC(c1ccccc1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine?
The InChIKey is LVWBMAGFSLAZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15-10-14(12-6-3-2-4-7-12)19(16,17)11-13-8-5-9-18-13/h2-4,6-7,13-15H,5,8-11H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine?
N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine has a molecular weight of 283.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine is sourced from PubChem (CID 106513586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).