1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine

C17H29NO2S — CID 106496312

IUPAC1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine
SMILESNC(CS(=O)CC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2S/c18-16(11-21(19)10-15-2-1-3-20-15)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-16H,1-11,18H2
InChIKeyWBWAKHRAHVZNKG-UHFFFAOYSA-N
MW311.49 g/mol
LogP2.46
Rot. Bonds5

About 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine

1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine (PubChem CID 106496312) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine
PubChem CID106496312
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine
SMILESNC(CS(=O)CC1CCCO1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2S/c18-16(11-21(19)10-15-2-1-3-20-15)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-16H,1-11,18H2
InChIKeyWBWAKHRAHVZNKG-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
2-methyl-3-(oxan-2-ylmethylsulfinyl)propanoic acid
CID 64914351
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
1-(1-adamantyl)-2-cyclobutylethanamine
CID 65457441
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
CID 106495212
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
2-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495315
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
CID 106497160
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine (CID 106496312) is 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine is NC(CS(=O)CC1CCCO1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine?
The InChIKey is WBWAKHRAHVZNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c18-16(11-21(19)10-15-2-1-3-20-15)17-7-12-4-13(8-17)6-14(5-12)9-17/h12-16H,1-11,18H2.
What are the key properties of 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine?
1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine has a molecular weight of 311.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(oxolan-2-ylmethylsulfinyl)ethanamine is sourced from PubChem (CID 106496312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).