(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C13H20ClNOS — CID 105053033

IUPAC(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2sccc2Cl)C(C)(C)O1
InChIInChI=1S/C13H20ClNOS/c1-12(2)7-8(13(3,4)16-12)10(15)11-9(14)5-6-17-11/h5-6,8,10H,7,15H2,1-4H3
InChIKeySLCAPLTXJOPUFK-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.99
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105053033) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105053033
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2sccc2Cl)C(C)(C)O1
InChIInChI=1S/C13H20ClNOS/c1-12(2)7-8(13(3,4)16-12)10(15)11-9(14)5-6-17-11/h5-6,8,10H,7,15H2,1-4H3
InChIKeySLCAPLTXJOPUFK-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine 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

(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-4-yl)methanamine
CID 105189143
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105053033) is (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)c2sccc2Cl)C(C)(C)O1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is SLCAPLTXJOPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-12(2)7-8(13(3,4)16-12)10(15)11-9(14)5-6-17-11/h5-6,8,10H,7,15H2,1-4H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 273.83 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105053033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).