(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride

C10H15Cl2NOS — CID 171247432

IUPAC(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1sccc1Cl)C1CCOCC1
InChIInChI=1S/C10H14ClNOS.ClH/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7;/h3,6-7,9H,1-2,4-5,12H2;1H/t9-;/m1./s1
InChIKeyUHUXOTOKNCAZCC-SBSPUUFOSA-N
MW268.21 g/mol
LogP3.25
Rot. Bonds2

About (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride

(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171247432) has the molecular formula C10H15Cl2NOS and a molecular weight of 268.21 g/mol. Its IUPAC name is (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171247432
Molecular FormulaC10H15Cl2NOS
Molecular Weight268.21 g/mol
Exact Mass267.03
IUPAC Name(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1sccc1Cl)C1CCOCC1
InChIInChI=1S/C10H14ClNOS.ClH/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7;/h3,6-7,9H,1-2,4-5,12H2;1H/t9-;/m1./s1
InChIKeyUHUXOTOKNCAZCC-SBSPUUFOSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
2-[(S)-amino(oxan-4-yl)methyl]-4-chloroaniline;hydrochloride
CID 171244368
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(R)-(2-chloro-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171245874
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride (CID 171247432) is (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@@H](c1sccc1Cl)C1CCOCC1.
What is the InChIKey of (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is UHUXOTOKNCAZCC-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14ClNOS.ClH/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7;/h3,6-7,9H,1-2,4-5,12H2;1H/t9-;/m1./s1.
What are the key properties of (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 268.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171247432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).