N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine

C16H25NO2S — CID 106496380

IUPACN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)S(=O)CC1CCCO1
InChIInChI=1S/C16H25NO2S/c1-3-15(20(18)12-14-10-7-11-19-14)16(17-2)13-8-5-4-6-9-13/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyQBXPRHNPEHPYAM-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.65
Rot. Bonds7

About N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine

N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine (PubChem CID 106496380) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
PubChem CID106496380
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)S(=O)CC1CCCO1
InChIInChI=1S/C16H25NO2S/c1-3-15(20(18)12-14-10-7-11-19-14)16(17-2)13-8-5-4-6-9-13/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyQBXPRHNPEHPYAM-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
CID 124736028
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
CID 106496342
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
2-(cyclopentylmethylsulfinyl)-1-phenylbutan-1-amine
CID 64656085
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
CID 106513586
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine (CID 106496380) is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine is CCC(C(NC)c1ccccc1)S(=O)CC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine?
The InChIKey is QBXPRHNPEHPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-15(20(18)12-14-10-7-11-19-14)16(17-2)13-8-5-4-6-9-13/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine?
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 106496380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).