(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine

C12H19NOS — CID 81156780

IUPAC(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-7-6-8(2)15-12(7)11(13)10-4-5-14-9(10)3/h6,9-11H,4-5,13H2,1-3H3
InChIKeyHPBKLVGYCGTUMK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.79
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine

(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 81156780) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
PubChem CID81156780
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
SMILESCc1cc(C)c(C(N)C2CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-7-6-8(2)15-12(7)11(13)10-4-5-14-9(10)3/h6,9-11H,4-5,13H2,1-3H3
InChIKeyHPBKLVGYCGTUMK-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
3-[bromo-(2,5-dimethylthiophen-3-yl)methyl]-2-methyloxolane
CID 79762730
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 81156279
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
5-[amino-(2-methyloxolan-3-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 79757917

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine (CID 81156780) is (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine is Cc1cc(C)c(C(N)C2CCOC2C)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is HPBKLVGYCGTUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-7-6-8(2)15-12(7)11(13)10-4-5-14-9(10)3/h6,9-11H,4-5,13H2,1-3H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine?
(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 81156780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).