(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine

C9H11Cl2NOS — CID 61270857

IUPAC(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCOC1
InChIInChI=1S/C9H11Cl2NOS/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h3,5,8H,1-2,4,12H2
InChIKeyWFDIGKYXFOXBHA-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.09
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine (PubChem CID 61270857) has the molecular formula C9H11Cl2NOS and a molecular weight of 252.17 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
PubChem CID61270857
Molecular FormulaC9H11Cl2NOS
Molecular Weight252.17 g/mol
Exact Mass250.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCOC1
InChIInChI=1S/C9H11Cl2NOS/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h3,5,8H,1-2,4,12H2
InChIKeyWFDIGKYXFOXBHA-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
CID 43344806
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
CID 131115157
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
CID 106857614
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine (CID 61270857) is (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine is NC(c1cc(Cl)sc1Cl)C1CCOC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine?
The InChIKey is WFDIGKYXFOXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NOS/c10-7-3-6(9(11)14-7)8(12)5-1-2-13-4-5/h3,5,8H,1-2,4,12H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine has a molecular weight of 252.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61270857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).