N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine

C12H25NO2S — CID 106496296

IUPACN,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
SMILESCCC(C)C(CS(=O)CC1CCCO1)NC
InChIInChI=1S/C12H25NO2S/c1-4-10(2)12(13-3)9-16(14)8-11-6-5-7-15-11/h10-13H,4-9H2,1-3H3
InChIKeyCDIQRUJOICEIJU-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.55
Rot. Bonds7

About N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine

N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine (PubChem CID 106496296) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
PubChem CID106496296
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
SMILESCCC(C)C(CS(=O)CC1CCCO1)NC
InChIInChI=1S/C12H25NO2S/c1-4-10(2)12(13-3)9-16(14)8-11-6-5-7-15-11/h10-13H,4-9H2,1-3H3
InChIKeyCDIQRUJOICEIJU-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
CID 106496342
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607
2-methyl-3-(oxan-2-ylmethylsulfinyl)propanoic acid
CID 64914351
propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
CID 106495212
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
1-(1,3-benzodioxol-5-yl)-N-methyl-2-(oxolan-2-ylmethylsulfinyl)ethanamine
CID 106496340
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
CID 106808096
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
CID 106497160

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine?
The IUPAC name of N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine (CID 106496296) is N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine is CCC(C)C(CS(=O)CC1CCCO1)NC.
What is the InChIKey of N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine?
The InChIKey is CDIQRUJOICEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-10(2)12(13-3)9-16(14)8-11-6-5-7-15-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine?
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine is sourced from PubChem (CID 106496296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).