N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine

C16H25NOS — CID 104755241

IUPACN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C(C)C)cc1)C1CCOC1
InChIInChI=1S/C16H25NOS/c1-12(2)13-4-6-15(7-5-13)19-11-16(17-3)14-8-9-18-10-14/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyHDFHHAIXZWCVPX-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine

N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine (PubChem CID 104755241) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
PubChem CID104755241
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C(C)C)cc1)C1CCOC1
InChIInChI=1S/C16H25NOS/c1-12(2)13-4-6-15(7-5-13)19-11-16(17-3)14-8-9-18-10-14/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyHDFHHAIXZWCVPX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine (CID 104755241) is N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine is CNC(CSc1ccc(C(C)C)cc1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
The InChIKey is HDFHHAIXZWCVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12(2)13-4-6-15(7-5-13)19-11-16(17-3)14-8-9-18-10-14/h4-7,12,14,16-17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine?
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine is sourced from PubChem (CID 104755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).