(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine

C11H15BrN2S — CID 125139908

IUPAC(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
SMILESC[C@@H](N[C@@H]1CCSC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2S/c1-8(14-10-4-5-15-7-10)11-3-2-9(12)6-13-11/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10-/m1/s1
InChIKeyLCOSCHKTTNYCRL-PSASIEDQSA-N
MW287.23 g/mol
LogP3.00
Rot. Bonds3

About (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine

(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine (PubChem CID 125139908) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
PubChem CID125139908
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
SMILESC[C@@H](N[C@@H]1CCSC1)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2S/c1-8(14-10-4-5-15-7-10)11-3-2-9(12)6-13-11/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10-/m1/s1
InChIKeyLCOSCHKTTNYCRL-PSASIEDQSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139910
N-[1-(5-fluoro-2-pyridinyl)ethyl]thian-4-amine
CID 115889252
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-(4-bromo-2-fluorophenyl)ethyl]thiolan-3-amine
CID 102613010
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine
CID 115722083
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine?
The IUPAC name of (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine (CID 125139908) is (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine?
The canonical SMILES for (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine is C[C@@H](N[C@@H]1CCSC1)c1ccc(Br)cn1.
What is the InChIKey of (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine?
The InChIKey is LCOSCHKTTNYCRL-PSASIEDQSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-8(14-10-4-5-15-7-10)11-3-2-9(12)6-13-11/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine?
(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine has a molecular weight of 287.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 125139908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).