(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C14H23NOS — CID 114623339

IUPAC(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cscc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23NOS/c1-9-7-17-8-10(9)12(15)11-6-13(2,3)16-14(11,4)5/h7-8,11-12H,6,15H2,1-5H3
InChIKeyCEMXASIVWYXJIM-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.65
Rot. Bonds2

About (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623339) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623339
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cscc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23NOS/c1-9-7-17-8-10(9)12(15)11-6-13(2,3)16-14(11,4)5/h7-8,11-12H,6,15H2,1-5H3
InChIKeyCEMXASIVWYXJIM-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
CID 105189143
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623339) is (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1cscc1C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is CEMXASIVWYXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9-7-17-8-10(9)12(15)11-6-13(2,3)16-14(11,4)5/h7-8,11-12H,6,15H2,1-5H3.
What are the key properties of (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).