(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C11H14ClNOS — CID 103407202

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1csc(C(N)C2=COCCC2)c1Cl
InChIInChI=1S/C11H14ClNOS/c1-7-6-15-11(9(7)12)10(13)8-3-2-4-14-5-8/h5-6,10H,2-4,13H2,1H3
InChIKeyQGDLNBOAHZHPEO-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.40
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 103407202) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID103407202
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1csc(C(N)C2=COCCC2)c1Cl
InChIInChI=1S/C11H14ClNOS/c1-7-6-15-11(9(7)12)10(13)8-3-2-4-14-5-8/h5-6,10H,2-4,13H2,1H3
InChIKeyQGDLNBOAHZHPEO-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143
(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol
CID 103404383
3,4-dihydro-2H-pyran-5-yl-(3-methylfuran-2-yl)methanamine
CID 104804172
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107103040
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033503
(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033531
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033054
1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033279
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 103400599
3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
CID 105033479

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 103407202) is (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is Cc1csc(C(N)C2=COCCC2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is QGDLNBOAHZHPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-7-6-15-11(9(7)12)10(13)8-3-2-4-14-5-8/h5-6,10H,2-4,13H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 243.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 103407202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).