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

C9H11Cl2NOS — CID 43344806

IUPAC(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCCO1
InChIInChI=1S/C9H11Cl2NOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6,8H,1-3,12H2
InChIKeyQEAVGZGNTZPXNX-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.23
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine (PubChem CID 43344806) has the molecular formula C9H11Cl2NOS and a molecular weight of 252.17 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
PubChem CID43344806
Molecular FormulaC9H11Cl2NOS
Molecular Weight252.17 g/mol
Exact Mass250.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCCO1
InChIInChI=1S/C9H11Cl2NOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6,8H,1-3,12H2
InChIKeyQEAVGZGNTZPXNX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
3-[amino(oxolan-2-yl)methyl]-5-methylpyridin-2-amine
CID 65331488
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800274
(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
CID 114603352
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
CID 61096141
2,5-dichloro-3-[chloro(cyclooctyl)methyl]thiophene
CID 65022750
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine (CID 43344806) is (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine is NC(c1cc(Cl)sc1Cl)C1CCCO1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine?
The InChIKey is QEAVGZGNTZPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NOS/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h4,6,8H,1-3,12H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine has a molecular weight of 252.17 g/mol, XLogP of 3.23, 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-2-yl)methanamine is sourced from PubChem (CID 43344806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).