3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine

C14H21NO3S — CID 106497444

IUPAC3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21NO3S/c15-9-8-14(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,15H2
InChIKeyLLJSDUCOGNAKGO-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.67
Rot. Bonds6

About 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine

3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine (PubChem CID 106497444) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine
PubChem CID106497444
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine
SMILESNCCC(c1ccccc1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H21NO3S/c15-9-8-14(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,15H2
InChIKeyLLJSDUCOGNAKGO-UHFFFAOYSA-N
XLogP1.67
TPSA69.39 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
CID 106513586
3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
CID 107766551
(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
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
CID 116567022
(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
CID 94149671
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine (CID 106497444) is 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine is NCCC(c1ccccc1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine?
The InChIKey is LLJSDUCOGNAKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c15-9-8-14(12-5-2-1-3-6-12)19(16,17)11-13-7-4-10-18-13/h1-3,5-6,13-14H,4,7-11,15H2.
What are the key properties of 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine?
3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfonyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 106497444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).